data_r5dx5sf
# 
_audit.revision_id     1_0 
_audit.creation_date   2016-01-13 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5dx5 
_cell.length_a      91.0900 
_cell.length_b      91.0900 
_cell.length_c      175.9290 
_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   0.91841 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.369 
_diffrn_reflns.pdbx_d_res_low    45.545 
_diffrn_reflns.limit_h_max       38 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       27 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       74 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            30894 
_diffrn_reflns.pdbx_number_obs   30894 
# 
_entry.id   5dx5 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5dx5 
_symmetry.space_group_name_H-M   "P 43 21 2" 
_symmetry.Int_Tables_number      96 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"               
2 "-Y+1/2,  X+1/2,  Z+3/4"  
3 "-X,  -Y,  Z+1/2"         
4 "Y+1/2,  -X+1/2,  Z+1/4"  
5 "X+1/2,  -Y+1/2,  -Z+1/4" 
6 "Y,  X,  -Z"              
7 "-X+1/2,  Y+1/2,  -Z+3/4" 
8 "-Y,  -X,  -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  0  4  o 37.380  0.3840 -0.000000      0.000000  
1 1 1 0  0  8  o 1.9560  0.2531 -0.000000      0.000000  
1 1 1 0  0  12 o 60.190  0.4385 -0.000000      0.000000  
1 1 1 0  0  16 o 133.100 0.9595 -0.000000      0.000000  
1 1 1 0  0  20 o 10.500  0.1828 0.000000       0.000000  
1 1 1 0  0  24 o 35.750  0.3995 0.000000       0.000000  
1 1 1 0  0  28 o 10.170  0.3154 -0.000000      0.000000  
1 1 1 0  0  32 o 25.930  0.2472 -0.000000      0.000000  
1 1 1 0  0  36 o 14.360  0.2500 -0.000000      0.000000  
1 1 1 0  0  40 f 3.1570  1.2470 -0.000000      0.000000  
1 1 1 0  0  48 o 3.2640  1.4040 0.000000       0.000000  
1 1 1 0  0  52 o 21.840  0.3973 0.000000       0.000000  
1 1 1 0  0  56 o 13.290  0.4482 -0.000000      0.000000  
1 1 1 0  0  60 o 7.4020  0.6878 -0.000000      0.000000  
1 1 1 0  0  64 o 6.4460  0.7865 0.000000       0.000000  
1 1 1 0  0  68 o 31.280  0.4718 0.000000       0.000000  
1 1 1 0  0  72 o 2.4080  1.3970 -0.000000      0.000000  
1 1 1 1  0  4  o 12.560  0.1012 -0.000000      0.000000  
1 1 1 1  0  5  o 6.8520  0.0791 0.000000       0.000000  
1 1 1 1  0  7  o 14.890  0.1235 0.000000       0.000000  
1 1 1 1  0  8  o 3.4030  0.1012 0.000000       0.000000  
1 1 1 1  0  9  o 0.7499  0.3655 -0.000000      0.000000  
1 1 1 1  0  10 o 7.2870  0.0776 0.000000       0.000000  
1 1 1 1  0  11 o 14.520  0.0873 -0.000000      0.000000  
1 1 1 1  0  12 f 13.580  0.0877 0.000000       0.000000  
1 1 1 1  0  13 o 25.270  0.1163 -0.000000      0.000000  
1 1 1 1  0  14 o 32.020  0.1421 -0.000000      0.000000  
1 1 1 1  0  15 o 22.250  0.1085 0.000000       0.000000  
1 1 1 1  0  16 o 17.520  0.0968 0.000000       0.000000  
1 1 1 1  0  17 o 11.500  0.0918 0.000000       0.000000  
1 1 1 1  0  18 o 12.960  0.0942 -0.000000      0.000000  
1 1 1 1  0  19 o 30.040  0.1525 0.000000       0.000000  
1 1 1 1  0  20 o 14.390  0.1219 0.000000       0.000000  
1 1 1 1  0  21 o 18.230  0.1312 0.000000       0.000000  
1 1 1 1  0  22 f 30.750  0.1784 0.000000       0.000000  
1 1 1 1  0  23 o 7.9510  0.1868 0.000000       0.000000  
1 1 1 1  0  24 o 7.9160  0.1668 -0.000000      0.000000  
1 1 1 1  0  25 o 1.1620  0.6843 0.000000       0.000000  
1 1 1 1  0  26 o 16.150  0.1247 0.000000       0.000000  
1 1 1 1  0  27 o 32.760  0.1932 0.000000       0.000000  
1 1 1 1  0  28 o 7.8710  0.1595 -0.000000      0.000000  
1 1 1 1  0  29 o 19.110  0.1337 0.000000       0.000000  
1 1 1 1  0  30 o 4.3120  0.2727 0.000000       0.000000  
1 1 1 1  0  31 o 18.300  0.1272 -0.000000      0.000000  
1 1 1 1  0  32 o 11.620  0.1405 0.000000       0.000000  
1 1 1 1  0  33 o 10.210  0.1540 0.000000       0.000000  
1 1 1 1  0  34 o 19.760  0.1338 0.000000       0.000000  
1 1 1 1  0  35 o 9.3420  0.1675 -0.000000      0.000000  
1 1 1 1  0  36 o 12.750  0.1464 0.000000       0.000000  
1 1 1 1  0  37 o 13.750  0.1483 0.000000       0.000000  
1 1 1 1  0  38 o 6.4180  0.2582 0.000000       0.000000  
1 1 1 1  0  39 o 7.1160  0.2415 0.000000       0.000000  
1 1 1 1  0  40 o 8.8030  0.2101 0.000000       0.000000  
1 1 1 1  0  41 o 4.2900  0.4249 0.000000       0.000000  
1 1 1 1  0  42 o 20.050  0.1917 0.000000       0.000000  
1 1 1 1  0  43 o 9.1760  0.2844 -0.000000      0.000000  
1 1 1 1  0  44 o 2.2810  0.8993 0.000000       0.000000  
1 1 1 1  0  45 o 17.610  0.2336 -0.000000      0.000000  
1 1 1 1  0  46 o 11.360  0.2978 -0.000000      0.000000  
1 1 1 1  0  47 o 17.150  0.1858 0.000000       0.000000  
1 1 1 1  0  48 o 1.7770  0.9335 -0.000000      0.000000  
1 1 1 1  0  49 o 2.8910  0.8857 -0.000000      0.000000  
1 1 1 1  0  50 o 18.730  0.2013 -0.000000      0.000000  
1 1 1 1  0  51 o 19.350  0.2011 -0.000000      0.000000  
1 1 1 1  0  52 o 1.4500  0.8843 -0.000000      0.000000  
1 1 1 1  0  53 o 9.1510  0.2938 -0.000000      0.000000  
1 1 1 1  0  54 o 17.380  0.2042 0.000000       0.000000  
1 1 1 1  0  55 o 11.460  0.2440 0.000000       0.000000  
1 1 1 1  0  56 o 4.8150  0.5031 -0.000000      0.000000  
1 1 1 1  0  57 o 2.7010  0.9407 -0.000000      0.000000  
1 1 1 1  0  58 o 12.650  0.2268 0.000000       0.000000  
1 1 1 1  0  59 o 3.4070  0.7601 -0.000000      0.000000  
1 1 1 1  0  60 o 1.5350  0.8896 0.000000       0.000000  
1 1 1 1  0  61 o 8.6300  0.2932 -0.000000      0.000000  
1 1 1 1  0  62 o 1.5490  0.8945 0.000000       0.000000  
1 1 1 1  0  63 o 4.1730  0.5896 0.000000       0.000000  
1 1 1 1  0  64 f 2.3300  1.1420 0.000000       0.000000  
1 1 1 1  0  65 o 13.430  0.3238 0.000000       0.000000  
1 1 1 1  0  66 o 18.880  0.2187 -0.000000      0.000000  
1 1 1 1  0  67 o 4.1480  1.0140 -0.000000      0.000000  
1 1 1 1  0  68 o 2.4920  1.2360 -0.000000      0.000000  
1 1 1 1  0  69 o 6.9530  0.3882 0.000000       0.000000  
1 1 1 1  0  70 o 2.4680  1.0200 -0.000000      0.000000  
1 1 1 1  0  71 o 0.9333  0.6595 0.000000       0.000000  
1 1 1 1  0  72 f 3.2300  0.9581 0.000000       0.000000  
1 1 1 1  0  73 o 1.1900  0.8378 0.000000       0.000000  
1 1 1 1  0  74 o 2.0010  1.0860 0.000000       0.000000  
1 1 1 1  1  3  o 1.6730  0.1689 0.000000       0.000000  
1 1 1 1  1  4  o 1.8540  0.1690 -0.000000      0.000000  
1 1 1 1  1  5  o 8.3560  0.0910 0.000000       0.000000  
1 1 1 1  1  6  o 0.7611  0.2750 0.000000       0.000000  
1 1 1 1  1  7  o 25.890  0.1596 -0.000000      0.000000  
1 1 1 1  1  8  o 13.390  0.0766 0.000000       0.000000  
1 1 1 1  1  9  o 6.0000  0.0688 0.000000       0.000000  
1 1 1 1  1  10 o 3.6110  0.1046 0.000000       0.000000  
1 1 1 1  1  11 o 19.310  0.0932 -0.000000      0.000000  
1 1 1 1  1  12 o 12.940  0.0784 0.000000       0.000000  
1 1 1 1  1  13 o 12.740  0.0807 -0.000000      0.000000  
1 1 1 1  1  14 o 12.480  0.0829 0.000000       0.000000  
1 1 1 1  1  15 o 4.6430  0.1287 -0.000000      0.000000  
1 1 1 1  1  16 o 57.740  0.2444 -0.000000      0.000000  
1 1 1 1  1  17 o 17.190  0.0976 0.000000       0.000000  
1 1 1 1  1  18 o 25.590  0.1342 0.000000       0.000000  
1 1 1 1  1  19 o 1.8710  0.4270 -0.000000      0.000000  
1 1 1 1  1  20 o 19.850  0.1095 -0.000000      0.000000  
1 1 1 1  1  21 o 10.930  0.1291 0.000000       0.000000  
1 1 1 1  1  22 o 7.3200  0.1488 -0.000000      0.000000  
1 1 1 1  1  23 o 2.1450  0.4838 -0.000000      0.000000  
1 1 1 1  1  24 o 22.200  0.1331 -0.000000      0.000000  
1 1 1 1  1  25 o 4.3780  0.2789 -0.000000      0.000000  
1 1 1 1  1  26 o 19.760  0.1324 -0.000000      0.000000  
1 1 1 1  1  27 o 32.360  0.1695 0.000000       0.000000  
1 1 1 1  1  28 o 30.050  0.1489 0.000000       0.000000  
1 1 1 1  1  29 o 1.3240  0.6694 0.000000       0.000000  
1 1 1 1  1  30 o 12.310  0.1420 -0.000000      0.000000  
1 1 1 1  1  31 o 3.0430  0.4228 0.000000       0.000000  
1 1 1 1  1  32 o 14.270  0.1324 -0.000000      0.000000  
1 1 1 1  1  33 o 4.5170  0.2982 -0.000000      0.000000  
1 1 1 1  1  34 o 8.0880  0.1882 -0.000000      0.000000  
1 1 1 1  1  35 o 19.540  0.1347 -0.000000      0.000000  
1 1 1 1  1  36 o 15.190  0.1405 -0.000000      0.000000  
1 1 1 1  1  37 o 39.170  0.1865 -0.000000      0.000000  
1 1 1 1  1  38 o 11.810  0.1649 0.000000       0.000000  
1 1 1 1  1  39 o 21.280  0.1462 0.000000       0.000000  
1 1 1 1  1  40 o 7.7450  0.2342 0.000000       0.000000  
1 1 1 1  1  41 o 7.4590  0.2746 -0.000000      0.000000  
1 1 1 1  1  42 o 24.500  0.1901 -0.000000      0.000000  
1 1 1 1  1  43 o 29.510  0.2035 -0.000000      0.000000  
1 1 1 1  1  44 o 19.430  0.2246 -0.000000      0.000000  
1 1 1 1  1  45 o 25.800  0.1997 0.000000       0.000000  
1 1 1 1  1  46 o 12.320  0.2442 -0.000000      0.000000  
1 1 1 1  1  47 o 2.7180  1.0580 0.000000       0.000000  
1 1 1 1  1  48 o 5.8550  0.4322 0.000000       0.000000  
1 1 1 1  1  49 o 9.3070  0.2674 -0.000000      0.000000  
1 1 1 1  1  50 o 22.370  0.1810 -0.000000      0.000000  
1 1 1 1  1  51 o 4.4300  0.5419 -0.000000      0.000000  
1 1 1 1  1  52 o 2.0150  0.9706 -0.000000      0.000000  
1 1 1 1  1  53 o 9.4760  0.2653 0.000000       0.000000  
1 1 1 1  1  54 o 1.9000  0.9517 -0.000000      0.000000  
1 1 1 1  1  55 f 5.1260  0.4448 -0.000000      0.000000  
1 1 1 1  1  56 o 13.690  0.2203 0.000000       0.000000  
1 1 1 1  1  57 o 2.6740  0.9376 0.000000       0.000000  
1 1 1 1  1  58 o 8.1380  0.3073 0.000000       0.000000  
1 1 1 1  1  59 o 12.030  0.2341 -0.000000      0.000000  
1 1 1 1  1  60 o 7.7760  0.3186 -0.000000      0.000000  
1 1 1 1  1  61 o 5.7400  0.4171 0.000000       0.000000  
1 1 1 1  1  62 o 1.6110  0.9121 -0.000000      0.000000  
1 1 1 1  1  63 o 9.2790  0.3195 0.000000       0.000000  
1 1 1 1  1  64 f 4.6190  0.6122 0.000000       0.000000  
1 1 1 1  1  65 o 1.5320  0.9718 -0.000000      0.000000  
1 1 1 1  1  66 o 2.1120  1.1350 0.000000       0.000000  
1 1 1 1  1  67 o 1.0020  0.6970 -0.000000      0.000000  
1 1 1 1  1  68 o 2.2900  1.1080 0.000000       0.000000  
1 1 1 1  1  69 o 15.000  0.2736 -0.000000      0.000000  
1 1 1 1  1  70 o 1.6790  0.9548 -0.000000      0.000000  
1 1 1 1  1  71 o 1.5590  0.9280 -0.000000      0.000000  
1 1 1 1  1  72 o 2.1260  1.1110 0.000000       0.000000  
1 1 1 1  1  73 o 5.9730  0.5063 -0.000000      0.000000  
1 1 1 1  1  74 o 2.1450  1.1690 0.000000       0.000000  
1 1 1 2  0  0  o 2.2180  0.1698 0.000000       0.000000  
1 1 1 2  0  1  f 11.890  0.1005 -0.000000      0.000000  
1 1 1 2  0  2  o 4.1830  0.1244 0.000000       0.000000  
1 1 1 2  0  3  o 3.4350  0.1501 0.000000       0.000000  
1 1 1 2  0  4  o 20.530  0.1559 0.000000       0.000000  
1 1 1 2  0  5  o 6.4370  0.0845 -0.000000      0.000000  
1 1 1 2  0  6  o 7.9960  0.0913 -0.000000      0.000000  
1 1 1 2  0  7  o 23.470  0.1450 0.000000       0.000000  
1 1 1 2  0  8  o 18.250  0.1037 0.000000       0.000000  
1 1 1 2  0  9  f 5.7430  0.0910 -0.000000      0.000000  
1 1 1 2  0  10 o 3.4060  0.1264 -0.000000      0.000000  
1 1 1 2  0  11 o 16.070  0.1007 0.000000       0.000000  
1 1 1 2  0  12 o 7.4970  0.0936 0.000000       0.000000  
1 1 1 2  0  13 o 6.3480  0.1074 0.000000       0.000000  
1 1 1 2  0  14 o 8.9320  0.1002 -0.000000      0.000000  
1 1 1 2  0  15 o 19.480  0.1211 0.000000       0.000000  
1 1 1 2  0  16 o 22.480  0.1210 -0.000000      0.000000  
1 1 1 2  0  17 o 1.0120  0.5213 0.000000       0.000000  
1 1 1 2  0  18 o 3.1740  0.2917 -0.000000      0.000000  
1 1 1 2  0  19 o 32.510  0.2079 -0.000000      0.000000  
1 1 1 2  0  20 o 13.650  0.1098 0.000000       0.000000  
1 1 1 2  0  21 o 5.6270  0.1654 0.000000       0.000000  
1 1 1 2  0  22 o 31.120  0.1591 -0.000000      0.000000  
1 1 1 2  0  23 o 2.9330  0.4017 -0.000000      0.000000  
1 1 1 2  0  24 o 16.860  0.1392 0.000000       0.000000  
1 1 1 2  0  25 o 9.6510  0.1565 -0.000000      0.000000  
1 1 1 2  0  26 o 16.330  0.1149 0.000000       0.000000  
1 1 1 2  0  27 f 19.530  0.1313 -0.000000      0.000000  
1 1 1 2  0  28 o 29.360  0.1785 0.000000       0.000000  
1 1 1 2  0  29 o 7.9840  0.1753 0.000000       0.000000  
1 1 1 2  0  30 o 21.280  0.1392 -0.000000      0.000000  
1 1 1 2  0  31 o 6.9670  0.1881 0.000000       0.000000  
1 1 1 2  0  32 o 8.6640  0.1657 -0.000000      0.000000  
1 1 1 2  0  33 o 13.340  0.1372 0.000000       0.000000  
1 1 1 2  0  34 o 37.970  0.1798 0.000000       0.000000  
1 1 1 2  0  35 o 6.8840  0.2097 -0.000000      0.000000  
1 1 1 2  0  36 o 5.9770  0.2439 0.000000       0.000000  
1 1 1 2  0  37 o 4.8220  0.3154 -0.000000      0.000000  
1 1 1 2  0  38 o 19.890  0.1440 0.000000       0.000000  
1 1 1 2  0  39 o 11.690  0.1693 0.000000       0.000000  
1 1 1 2  0  40 o 0.8510  0.5878 0.000000       0.000000  
1 1 1 2  0  41 o 37.200  0.2258 -0.000000      0.000000  
1 1 1 2  0  42 o 2.9750  0.8809 -0.000000      0.000000  
1 1 1 2  0  43 o 3.6450  0.5550 0.000000       0.000000  
1 1 1 2  0  44 o 8.2300  0.2667 -0.000000      0.000000  
1 1 1 2  0  45 o 16.830  0.1805 -0.000000      0.000000  
1 1 1 2  0  46 o 2.4600  1.0520 -0.000000      0.000000  
1 1 1 2  0  47 o 6.4190  0.4340 -0.000000      0.000000  
1 1 1 2  0  48 o 8.6160  0.2948 0.000000       0.000000  
1 1 1 2  0  49 o 13.310  0.2097 -0.000000      0.000000  
1 1 1 2  0  50 o 2.5280  0.9665 -0.000000      0.000000  
1 1 1 2  0  51 o 16.050  0.1842 -0.000000      0.000000  
1 1 1 2  0  52 o 4.6780  0.4812 0.000000       0.000000  
1 1 1 2  0  53 o 2.8520  0.9074 0.000000       0.000000  
1 1 1 2  0  54 o 7.3920  0.3212 0.000000       0.000000  
1 1 1 2  0  55 o 8.2050  0.2907 -0.000000      0.000000  
1 1 1 2  0  56 o 8.4380  0.2817 0.000000       0.000000  
1 1 1 2  0  57 o 2.8230  0.8644 0.000000       0.000000  
1 1 1 2  0  58 o 5.0060  0.4461 -0.000000      0.000000  
1 1 1 2  0  59 o 5.7420  0.4108 -0.000000      0.000000  
1 1 1 2  0  60 o 1.7580  0.9321 -0.000000      0.000000  
1 1 1 2  0  61 o 1.3760  0.8427 -0.000000      0.000000  
1 1 1 2  0  62 o 8.9190  0.3268 0.000000       0.000000  
1 1 1 2  0  63 o 3.9260  0.9276 -0.000000      0.000000  
1 1 1 2  0  64 o 1.4670  0.9074 0.000000       0.000000  
1 1 1 2  0  65 o 4.2300  0.5930 0.000000       0.000000  
1 1 1 2  0  66 o 3.4000  0.8039 -0.000000      0.000000  
1 1 1 2  0  67 o 1.1110  0.7484 0.000000       0.000000  
1 1 1 2  0  68 o 3.2820  1.1910 0.000000       0.000000  
1 1 1 2  0  69 o 5.9520  0.6427 0.000000       0.000000  
1 1 1 2  0  70 f 1.9430  1.0000 0.000000       0.000000  
1 1 1 2  0  71 o 6.7310  0.4129 -0.000000      0.000000  
1 1 1 2  0  72 o 1.7190  1.0700 -0.000000      0.000000  
1 1 1 2  0  73 o 1.3020  0.8550 -0.000000      0.000000  
1 1 1 2  0  74 o 1.1620  0.7972 -0.000000      0.000000  
1 1 1 2  1  0  o 6.3190  0.1029 0.000000       0.000000  
1 1 1 2  1  1  o 13.370  0.0946 -0.1758000     0.1891000 
1 1 1 2  1  2  o 13.870  0.0982 -0.3480000E-01 0.1965000 
1 1 1 2  1  3  o 13.370  0.1606 ?              ?         
1 1 1 2  1  4  o 11.090  0.0893 -0.1870000     0.1786000 
1 1 1 2  1  5  o 0.6783  0.1854 0.3073000      0.3709000 
1 1 1 2  1  7  o 18.100  0.0874 0.1975000      0.1748000 
1 1 1 2  1  8  o 12.930  0.0541 0.1921000      0.1082000 
1 1 1 2  1  9  o 15.890  0.0618 0.1345000      0.1237000 
1 1 1 2  1  10 o 4.5220  0.0691 0.5234000E-01  0.1383000 
1 1 1 2  1  11 o 29.400  0.1008 -0.8989000E-02 0.2015000 
1 1 1 2  1  12 f 10.370  0.0592 -0.3382000E-01 0.1184000 
1 1 1 2  1  13 o 21.290  0.0799 -0.1711000     0.1597000 
1 1 1 2  1  14 o 15.750  0.0689 -0.9538000E-01 0.1377000 
1 1 1 2  1  15 o 25.160  0.0918 -0.2209000E-01 0.1836000 
1 1 1 2  1  16 o 27.060  0.0934 -0.1327000E-01 0.1868000 
1 1 1 2  1  17 o 24.490  0.0965 0.1823000      0.1931000 
1 1 1 2  1  18 o 16.770  0.0802 -0.3472000E-01 0.1604000 
1 1 1 2  1  19 o 11.570  0.0777 0.2190000      0.1553000 
1 1 1 2  1  20 o 1.8470  0.3373 0.1660000      0.6745000 
1 1 1 2  1  21 o 26.040  0.1046 -0.1786000     0.2091000 
1 1 1 2  1  22 o 15.420  0.1019 -0.1527000     0.2037000 
1 1 1 2  1  23 o 30.970  0.1314 -0.3911000     0.2628000 
1 1 1 2  1  24 o 4.8550  0.1499 -0.2083000     0.2997000 
1 1 1 2  1  25 o 7.0280  0.1366 0.6104000E-01  0.2732000 
1 1 1 2  1  26 o 12.320  0.0957 0.1728000      0.1915000 
1 1 1 2  1  27 o 7.2630  0.1164 0.1181000      0.2328000 
1 1 1 2  1  28 o 12.020  0.0936 0.1100000      0.1871000 
1 1 1 2  1  29 o 8.8050  0.1103 -0.1226000     0.2205000 
1 1 1 2  1  30 o 19.870  0.0975 0.9843000E-01  0.1950000 
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1 1 1 2  1  34 o 18.510  0.0943 0.6839000E-01  0.1886000 
1 1 1 2  1  35 o 18.730  0.0946 -0.2672000     0.1893000 
1 1 1 2  1  36 o 26.970  0.1052 0.1155000      0.2103000 
1 1 1 2  1  37 o 19.870  0.0991 -0.9722000E-01 0.1981000 
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1 1 1 2  1  39 o 11.680  0.1263 0.4915000      0.2526000 
1 1 1 2  1  40 o 2.6280  0.4850 0.3971000      0.9699000 
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1 1 1 2  1  43 o 11.510  0.1643 -0.3952000     0.3285000 
1 1 1 2  1  44 o 9.5830  0.1817 0.3670000      0.3635000 
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1 1 1 2  1  53 o 5.3750  0.3059 -0.2541000     0.6118000 
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1 1 1 2  1  55 o 14.980  0.1405 -0.6625000     0.2809000 
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1 1 1 2  1  57 o 14.130  0.1432 0.2402000E-01  0.2864000 
1 1 1 2  1  58 o 4.1150  0.3794 -0.5202000E-01 0.7589000 
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1 1 1 2  1  60 o 9.9170  0.1754 -0.5976000     0.3508000 
1 1 1 2  1  61 o 12.550  0.1794 0.3469000      0.3587000 
1 1 1 2  1  62 o 1.9780  0.5492 -0.8543000     1.098000  
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1 1 1 2  1  65 o 6.1480  0.3103 0.3549000      0.6205000 
1 1 1 2  1  66 o 8.4440  0.2409 -0.3041000     0.4819000 
1 1 1 2  1  67 o 2.5420  0.6287 -0.2655000     1.257000  
1 1 1 2  1  68 o 2.0340  0.5842 0.3571000      1.168000  
1 1 1 2  1  69 o 9.1080  0.2399 0.2216000      0.4798000 
1 1 1 2  1  70 o 2.4050  0.6309 -0.2018000     1.262000  
1 1 1 2  1  71 o 7.9580  0.2892 0.9467000E-02  0.5784000 
1 1 1 2  1  72 o 2.0240  0.5810 -0.4071000     1.162000  
1 1 1 2  1  73 o 3.0430  0.6451 1.101000       1.290000  
1 1 1 2  1  74 o 1.5130  0.5097 -0.2149000     1.019000  
1 1 1 2  2  0  o 7.4350  0.1208 0.000000       0.000000  
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1 1 1 2  2  3  o 25.060  0.1913 -0.000000      0.000000  
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1 1 1 2  2  7  o 22.020  0.1442 0.000000       0.000000  
1 1 1 2  2  8  o 17.300  0.1061 -0.000000      0.000000  
1 1 1 2  2  9  o 5.9070  0.0795 -0.000000      0.000000  
1 1 1 2  2  10 o 7.2810  0.0803 0.000000       0.000000  
1 1 1 2  2  11 o 43.570  0.2036 -0.000000      0.000000  
1 1 1 2  2  12 o 11.250  0.0848 0.000000       0.000000  
1 1 1 2  2  13 o 2.8130  0.2131 -0.000000      0.000000  
1 1 1 2  2  14 o 32.020  0.1562 0.000000       0.000000  
1 1 1 2  2  15 o 42.620  0.2249 -0.000000      0.000000  
1 1 1 2  2  16 o 3.1600  0.2276 0.000000       0.000000  
1 1 1 2  2  17 o 12.670  0.1106 -0.000000      0.000000  
1 1 1 2  2  18 o 19.070  0.1255 0.000000       0.000000  
1 1 1 2  2  19 o 22.070  0.1373 -0.000000      0.000000  
1 1 1 2  2  20 o 0.9736  0.5846 0.000000       0.000000  
1 1 1 2  2  21 o 36.810  0.2370 0.000000       0.000000  
1 1 1 2  2  22 o 27.390  0.1467 -0.000000      0.000000  
1 1 1 2  2  23 o 19.550  0.1394 0.000000       0.000000  
1 1 1 2  2  24 o 1.4440  0.6709 -0.000000      0.000000  
1 1 1 2  2  25 o 9.6610  0.1602 -0.000000      0.000000  
1 1 1 2  2  26 o 4.5520  0.3588 0.000000       0.000000  
1 1 1 2  2  27 o 9.1840  0.2017 0.000000       0.000000  
1 1 1 2  2  28 o 6.2990  0.2377 -0.000000      0.000000  
1 1 1 2  2  29 f 4.4970  0.2807 -0.000000      0.000000  
1 1 1 2  2  30 o 15.310  0.1375 0.000000       0.000000  
1 1 1 2  2  31 o 23.590  0.1481 0.000000       0.000000  
1 1 1 2  2  32 o 18.840  0.1314 0.000000       0.000000  
1 1 1 2  2  33 o 13.840  0.1465 0.000000       0.000000  
1 1 1 2  2  34 o 1.9240  0.7281 0.000000       0.000000  
1 1 1 2  2  35 o 21.970  0.1383 -0.000000      0.000000  
1 1 1 2  2  36 o 2.9400  0.5338 0.000000       0.000000  
1 1 1 2  2  37 o 27.720  0.1536 -0.000000      0.000000  
1 1 1 2  2  38 o 22.980  0.1605 -0.000000      0.000000  
1 1 1 2  2  39 o 23.540  0.1631 0.000000       0.000000  
1 1 1 2  2  40 o 2.2660  0.8148 0.000000       0.000000  
1 1 1 2  2  41 o 5.3600  0.3569 -0.000000      0.000000  
1 1 1 2  2  42 o 9.2980  0.2607 0.000000       0.000000  
1 1 1 2  2  43 o 5.3670  0.4686 -0.000000      0.000000  
1 1 1 2  2  44 o 11.630  0.2472 0.000000       0.000000  
1 1 1 2  2  45 o 25.770  0.1820 -0.000000      0.000000  
1 1 1 2  2  46 o 5.5740  0.4279 -0.000000      0.000000  
1 1 1 2  2  47 o 17.140  0.1992 -0.000000      0.000000  
1 1 1 2  2  48 o 19.680  0.1818 0.000000       0.000000  
1 1 1 2  2  49 o 14.780  0.2279 -0.000000      0.000000  
1 1 1 2  2  50 o 24.500  0.2062 0.000000       0.000000  
1 1 1 2  2  51 o 12.500  0.2200 -0.000000      0.000000  
1 1 1 2  2  52 o 6.3150  0.3734 -0.000000      0.000000  
1 1 1 2  2  53 o 0.9396  0.6551 -0.000000      0.000000  
1 1 1 2  2  54 o 17.220  0.1899 -0.000000      0.000000  
1 1 1 2  2  55 o 13.120  0.2125 0.000000       0.000000  
1 1 1 2  2  56 o 2.2550  0.9490 0.000000       0.000000  
1 1 1 2  2  57 o 8.5100  0.2805 -0.000000      0.000000  
1 1 1 2  2  58 o 2.5580  0.9173 0.000000       0.000000  
1 1 1 2  2  59 o 9.3250  0.2607 -0.000000      0.000000  
1 1 1 2  2  60 o 7.5080  0.3413 0.000000       0.000000  
1 1 1 2  2  61 o 5.4280  0.4631 0.000000       0.000000  
1 1 1 2  2  62 o 6.1060  0.3731 -0.000000      0.000000  
1 1 1 2  2  63 o 1.5060  0.8722 0.000000       0.000000  
1 1 1 2  2  64 o 3.1650  0.9005 0.000000       0.000000  
1 1 1 2  2  65 o 16.440  0.2616 0.000000       0.000000  
1 1 1 2  2  66 o 3.3630  0.8901 -0.000000      0.000000  
1 1 1 2  2  67 o 4.7220  0.5213 0.000000       0.000000  
1 1 1 2  2  68 o 7.8690  0.3470 0.000000       0.000000  
1 1 1 2  2  69 o 15.420  0.2335 0.000000       0.000000  
1 1 1 2  2  70 o 1.5120  0.9454 -0.000000      0.000000  
1 1 1 2  2  71 o 0.9338  0.6692 -0.000000      0.000000  
1 1 1 2  2  72 o 3.7290  0.9628 0.000000       0.000000  
1 1 1 2  2  73 o 6.9900  0.4333 -0.000000      0.000000  
1 1 1 2  2  74 o 7.4350  0.5140 -0.000000      0.000000  
1 1 1 3  0  1  o 23.750  0.1805 0.000000       0.000000  
1 1 1 3  0  5  o 0.6037  0.3655 -0.000000      0.000000  
1 1 1 3  0  6  o 15.580  0.1085 -0.000000      0.000000  
1 1 1 3  0  7  o 10.560  0.0916 -0.000000      0.000000  
1 1 1 3  0  8  o 13.970  0.0891 -0.000000      0.000000  
1 1 1 3  0  9  o 8.4860  0.0794 -0.000000      0.000000  
1 1 1 3  0  10 o 25.390  0.1390 0.000000       0.000000  
1 1 1 3  0  11 o 3.4540  0.1407 -0.000000      0.000000  
1 1 1 3  0  12 o 8.7620  0.0906 0.000000       0.000000  
1 1 1 3  0  13 o 36.780  0.1949 -0.000000      0.000000  
1 1 1 3  0  14 o 5.8920  0.1182 -0.000000      0.000000  
1 1 1 3  0  15 o 1.3680  0.4925 0.000000       0.000000  
1 1 1 3  0  16 o 23.870  0.1597 0.000000       0.000000  
1 1 1 3  0  17 o 49.020  0.2957 -0.000000      0.000000  
1 1 1 3  0  18 o 8.1670  0.1389 -0.000000      0.000000  
1 1 1 3  0  19 o 0.9958  0.5685 0.000000       0.000000  
1 1 1 3  0  20 o 5.5820  0.1911 -0.000000      0.000000  
1 1 1 3  0  21 o 12.850  0.1255 -0.000000      0.000000  
1 1 1 3  0  22 o 16.570  0.1339 -0.000000      0.000000  
1 1 1 3  0  23 o 23.650  0.1520 0.000000       0.000000  
1 1 1 3  0  24 o 8.7190  0.1427 -0.000000      0.000000  
1 1 1 3  0  25 o 14.630  0.1420 0.000000       0.000000  
1 1 1 3  0  26 o 11.740  0.1534 -0.000000      0.000000  
1 1 1 3  0  27 o 10.120  0.1436 -0.000000      0.000000  
1 1 1 3  0  28 o 16.760  0.1310 0.000000       0.000000  
1 1 1 3  0  29 o 6.6840  0.1960 -0.000000      0.000000  
1 1 1 3  0  30 o 11.470  0.1604 -0.000000      0.000000  
1 1 1 3  0  31 o 7.5600  0.1863 -0.000000      0.000000  
1 1 1 3  0  32 o 4.0630  0.3115 0.000000       0.000000  
1 1 1 3  0  33 o 21.780  0.1344 -0.000000      0.000000  
1 1 1 3  0  34 o 11.260  0.1497 0.000000       0.000000  
1 1 1 3  0  35 o 7.3410  0.1978 0.000000       0.000000  
1 1 1 3  0  36 o 1.7620  0.7589 -0.000000      0.000000  
1 1 1 3  0  37 o 12.750  0.1525 -0.000000      0.000000  
1 1 1 3  0  38 o 6.6320  0.2759 -0.000000      0.000000  
1 1 1 3  0  39 o 15.720  0.1840 0.000000       0.000000  
1 1 1 3  0  40 o 0.9289  0.6418 0.000000       0.000000  
1 1 1 3  0  41 f 16.860  0.1704 0.000000       0.000000  
1 1 1 3  0  42 o 29.960  0.1791 -0.000000      0.000000  
1 1 1 3  0  43 o 22.860  0.1684 0.000000       0.000000  
1 1 1 3  0  44 o 15.470  0.1707 -0.000000      0.000000  
1 1 1 3  0  45 o 50.730  0.2332 -0.000000      0.000000  
1 1 1 3  0  46 o 8.5880  0.2566 -0.000000      0.000000  
1 1 1 3  0  47 o 9.9760  0.2554 0.000000       0.000000  
1 1 1 3  0  48 o 2.1820  1.0600 -0.000000      0.000000  
1 1 1 3  0  49 o 18.290  0.1917 -0.000000      0.000000  
1 1 1 3  0  50 o 5.6530  0.3898 0.000000       0.000000  
1 1 1 3  0  51 o 2.1520  0.9793 0.000000       0.000000  
1 1 1 3  0  52 o 26.380  0.1862 0.000000       0.000000  
1 1 1 3  0  53 o 6.3500  0.3489 -0.000000      0.000000  
1 1 1 3  0  54 o 10.110  0.2361 -0.000000      0.000000  
1 1 1 3  0  55 o 3.6280  0.6303 -0.000000      0.000000  
1 1 1 3  0  56 o 0.7796  0.5583 -0.000000      0.000000  
1 1 1 3  0  57 o 9.8770  0.2343 0.000000       0.000000  
1 1 1 3  0  58 o 1.5240  0.8611 0.000000       0.000000  
1 1 1 3  0  59 o 1.2640  0.7936 0.000000       0.000000  
1 1 1 3  0  60 o 10.520  0.2398 0.000000       0.000000  
1 1 1 3  0  61 o 1.6840  0.9798 0.000000       0.000000  
1 1 1 3  0  62 o 1.3720  0.8837 -0.000000      0.000000  
1 1 1 3  0  63 f 8.4200  0.2937 0.000000       0.000000  
1 1 1 3  0  64 o 7.6120  0.3321 0.000000       0.000000  
1 1 1 3  0  65 o 3.4420  0.7929 0.000000       0.000000  
1 1 1 3  0  66 o 0.9042  0.6388 -0.000000      0.000000  
1 1 1 3  0  67 o 1.3340  0.8391 0.000000       0.000000  
1 1 1 3  0  68 o 2.4050  1.0020 -0.000000      0.000000  
1 1 1 3  0  69 o 9.2230  0.3565 0.000000       0.000000  
1 1 1 3  0  70 o 7.2750  0.5451 -0.000000      0.000000  
1 1 1 3  0  71 o 1.4940  0.9761 0.000000       0.000000  
1 1 1 3  0  72 o 2.5120  1.0580 -0.000000      0.000000  
1 1 1 3  0  73 o 5.7360  0.5216 -0.000000      0.000000  
1 1 1 3  0  74 o 2.6410  1.2130 -0.000000      0.000000  
1 1 1 3  1  0  o 20.220  0.1577 0.000000       0.000000  
1 1 1 3  1  1  o 19.640  0.1535 ?              ?         
1 1 1 3  1  2  o 8.8130  0.0959 ?              ?         
1 1 1 3  1  3  o 6.2360  0.0947 ?              ?         
1 1 1 3  1  4  o 5.7730  0.0995 ?              ?         
1 1 1 3  1  5  o 11.210  0.1149 ?              ?         
1 1 1 3  1  6  o 12.970  0.0714 -0.5678000E-01 0.1427000 
1 1 1 3  1  7  o 7.0780  0.0519 0.7605000E-02  0.1038000 
1 1 1 3  1  8  o 13.260  0.0612 -0.6842000E-01 0.1224000 
1 1 1 3  1  9  o 12.090  0.0598 0.1297000      0.1196000 
1 1 1 3  1  10 o 7.4930  0.0590 0.9342000E-01  0.1180000 
1 1 1 3  1  11 o 11.150  0.0622 -0.2715000E-01 0.1243000 
1 1 1 3  1  12 f 16.080  0.0701 -0.1197000     0.1401000 
1 1 1 3  1  13 o 15.360  0.0699 -0.3170000E-01 0.1397000 
1 1 1 3  1  14 o 25.640  0.0974 -0.5742000E-01 0.1948000 
1 1 1 3  1  15 o 16.940  0.0847 -0.5587000E-01 0.1694000 
1 1 1 3  1  16 o 19.380  0.0923 -0.8176000E-01 0.1847000 
1 1 1 3  1  17 o 8.1980  0.0894 -0.1554000     0.1787000 
1 1 1 3  1  18 o 22.490  0.1045 -0.1569000     0.2090000 
1 1 1 3  1  19 o 4.1260  0.1504 0.1587000E-02  0.3008000 
1 1 1 3  1  20 o 14.280  0.0984 0.1962000      0.1968000 
1 1 1 3  1  21 o 25.960  0.1132 -0.1701000     0.2264000 
1 1 1 3  1  22 o 8.4170  0.1237 0.5579000E-01  0.2475000 
1 1 1 3  1  23 o 20.930  0.1049 0.9569000E-01  0.2097000 
1 1 1 3  1  24 o 16.140  0.0956 0.5440000E-01  0.1912000 
1 1 1 3  1  25 o 19.020  0.0897 0.3620000      0.1794000 
1 1 1 3  1  26 o 11.890  0.1151 0.2916000      0.2303000 
1 1 1 3  1  27 o 14.310  0.1133 0.1111000      0.2265000 
1 1 1 3  1  28 o 7.6290  0.1476 0.1481000      0.2952000 
1 1 1 3  1  29 o 13.060  0.1018 0.5130000E-01  0.2036000 
1 1 1 3  1  30 o 10.730  0.1119 0.5751000E-01  0.2238000 
1 1 1 3  1  31 o 19.450  0.1051 -0.2521000     0.2103000 
1 1 1 3  1  32 o 13.770  0.0988 0.6219000E-01  0.1976000 
1 1 1 3  1  33 o 11.270  0.1072 -0.1371000     0.2144000 
1 1 1 3  1  34 o 11.740  0.1036 0.2096000      0.2072000 
1 1 1 3  1  35 o 5.8370  0.1695 -0.1486000     0.3390000 
1 1 1 3  1  36 o 25.170  0.1024 -0.2249000     0.2049000 
1 1 1 3  1  37 o 9.0040  0.1390 0.7082000      0.2781000 
1 1 1 3  1  38 o 1.8120  0.4877 -0.5806000     0.9754000 
1 1 1 3  1  39 o 4.9190  0.2648 -0.9440000     0.5297000 
1 1 1 3  1  40 o 19.140  0.1106 0.3042000E-01  0.2212000 
1 1 1 3  1  41 o 6.4360  0.2290 0.4386000E-01  0.4581000 
1 1 1 3  1  42 o 14.120  0.1319 0.2362000      0.2639000 
1 1 1 3  1  43 o 9.8040  0.1525 -0.2287000     0.3050000 
1 1 1 3  1  44 o 5.7740  0.2498 0.3404000      0.4996000 
1 1 1 3  1  45 o 9.6440  0.1757 0.1183000E-01  0.3515000 
1 1 1 3  1  46 o 15.090  0.1394 0.2608000E-01  0.2789000 
1 1 1 3  1  47 o 15.770  0.1323 0.4021000E-01  0.2645000 
1 1 1 3  1  48 o 17.740  0.1220 -0.2394000     0.2440000 
1 1 1 3  1  49 o 23.340  0.1391 -0.5460000E-01 0.2782000 
1 1 1 3  1  50 o 19.260  0.1489 0.3328000      0.2979000 
1 1 1 3  1  51 o 16.930  0.1326 -0.3962000     0.2652000 
1 1 1 3  1  52 o 20.030  0.1265 -0.4129000     0.2529000 
1 1 1 3  1  53 o 6.6220  0.2456 -0.1684000     0.4912000 
1 1 1 3  1  54 o 11.630  0.1567 -0.7031000E-01 0.3134000 
1 1 1 3  1  55 o 2.4260  0.5461 0.1465000E-01  1.092000  
1 1 1 3  1  56 o 5.0380  0.3045 0.3297000      0.6089000 
1 1 1 3  1  57 o 10.090  0.1692 0.4419000E-01  0.3384000 
1 1 1 3  1  58 o 6.2340  0.2497 -0.2973000     0.4994000 
1 1 1 3  1  59 o 11.710  0.1540 -0.3980000     0.3080000 
1 1 1 3  1  60 o 4.9970  0.3353 0.4782000      0.6707000 
1 1 1 3  1  61 o 1.6690  0.5096 0.6575000      1.019000  
1 1 1 3  1  62 o 4.7140  0.3630 -0.6743000     0.7259000 
1 1 1 3  1  63 o 10.770  0.1900 -0.5481000     0.3800000 
1 1 1 3  1  64 o 6.3800  0.2699 0.1030000      0.5398000 
1 1 1 3  1  65 o 4.8370  0.3663 -1.644000      0.7325000 
1 1 1 3  1  66 o 2.5730  0.5615 -0.8546000     1.123000  
1 1 1 3  1  67 o 3.3640  0.5770 -0.2450000     1.154000  
1 1 1 3  1  68 o 2.7960  0.5756 -1.552000      1.151000  
1 1 1 3  1  69 o 5.2380  0.3977 -1.299000      0.7955000 
1 1 1 3  1  70 o 6.9550  0.3010 1.293000       0.6020000 
1 1 1 3  1  71 o 7.5170  0.3081 -0.3860000     0.6163000 
1 1 1 3  1  72 o 2.5480  0.6348 0.9179000      1.270000  
1 1 1 3  1  73 o 2.2120  0.6041 -0.8058000     1.208000  
1 1 1 3  1  74 o 6.8490  0.6561 ?              ?         
1 1 1 3  2  0  f 2.7980  0.2006 0.000000       0.000000  
1 1 1 3  2  1  o 12.170  0.1562 ?              ?         
1 1 1 3  2  2  o 12.660  0.0955 ?              ?         
1 1 1 3  2  3  o 2.9870  0.1048 -0.1220000     0.2096000 
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1 1 1 3  2  6  o 14.630  0.0641 0.2890000E-01  0.1282000 
1 1 1 3  2  7  o 6.8970  0.0717 0.9848000E-01  0.1434000 
1 1 1 3  2  8  o 2.9410  0.0940 0.4630000      0.1879000 
1 1 1 3  2  9  o 18.200  0.0750 0.9551000E-01  0.1501000 
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1 1 1 3  2  11 o 10.220  0.0576 0.4472000E-01  0.1153000 
1 1 1 3  2  12 o 5.4340  0.0729 -0.1218000E-01 0.1457000 
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1 1 1 3  2  22 o 4.5110  0.1582 -0.2679000     0.3164000 
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1 1 1 3  2  37 o 10.800  0.1352 0.1132000      0.2705000 
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1 1 1 3  2  39 o 30.470  0.1207 -0.1501000E-01 0.2414000 
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1 1 1 3  2  59 o 9.9320  0.1955 0.8608000E-01  0.3910000 
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1 1 1 3  2  62 o 8.9680  0.1914 -0.3172000E-01 0.3828000 
1 1 1 3  2  63 o 2.1600  0.5388 1.124000       1.078000  
1 1 1 3  2  64 o 5.0000  0.3590 -0.5615000     0.7179000 
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1 1 1 3  2  66 o 9.9840  0.1994 0.2756000      0.3987000 
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1 1 1 3  2  72 o 3.0760  0.6453 -0.1016000     1.291000  
1 1 1 3  2  73 o 3.8480  0.6538 0.2055000      1.308000  
1 1 1 3  3  0  o 1.4120  0.5519 0.000000       0.000000  
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1 1 1 3  3  16 o 31.340  0.1729 -0.000000      0.000000  
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1 1 1 3  3  19 o 2.4030  0.3939 0.000000       0.000000  
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1 1 1 3  3  23 o 24.020  0.1530 0.000000       0.000000  
1 1 1 3  3  24 o 19.580  0.1272 -0.000000      0.000000  
1 1 1 3  3  25 o 15.090  0.1402 -0.000000      0.000000  
1 1 1 3  3  26 o 5.4370  0.2111 0.000000       0.000000  
1 1 1 3  3  27 o 12.460  0.1456 -0.000000      0.000000  
1 1 1 3  3  28 o 13.530  0.1332 -0.000000      0.000000  
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1 1 1 3  3  33 o 3.5740  0.4201 0.000000       0.000000  
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1 1 1 3  3  35 o 19.870  0.1528 0.000000       0.000000  
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1 1 1 3  3  39 o 20.140  0.1753 0.000000       0.000000  
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1 1 1 3  3  48 o 1.2860  0.7992 0.000000       0.000000  
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1 1 1 3  3  52 o 4.6850  0.5911 0.000000       0.000000  
1 1 1 3  3  53 o 8.4080  0.3315 -0.000000      0.000000  
1 1 1 3  3  54 o 16.580  0.1916 0.000000       0.000000  
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1 1 1 3  3  57 o 2.9860  0.9083 -0.000000      0.000000  
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1 1 1 3  3  59 o 1.6900  0.9140 0.000000       0.000000  
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1 1 1 3  3  61 o 0.9492  0.6566 -0.000000      0.000000  
1 1 1 3  3  62 o 16.740  0.1937 -0.000000      0.000000  
1 1 1 3  3  63 o 6.0840  0.3817 -0.000000      0.000000  
1 1 1 3  3  64 o 4.9670  0.5074 -0.000000      0.000000  
1 1 1 3  3  65 o 5.3280  0.5697 -0.000000      0.000000  
1 1 1 3  3  66 o 0.8155  0.5895 0.000000       0.000000  
1 1 1 3  3  67 o 5.6620  0.4958 0.000000       0.000000  
1 1 1 3  3  68 o 2.0440  1.0150 0.000000       0.000000  
1 1 1 3  3  69 o 5.9380  0.4535 -0.000000      0.000000  
1 1 1 3  3  70 o 7.7220  0.3324 0.000000       0.000000  
1 1 1 3  3  71 o 1.8680  0.9748 0.000000       0.000000  
1 1 1 3  3  72 o 4.8230  0.5472 0.000000       0.000000  
1 1 1 3  3  73 o 6.4190  0.4447 0.000000       0.000000  
1 1 1 4  0  1  o 8.2200  0.1096 0.000000       0.000000  
1 1 1 4  0  2  o 15.870  0.1124 -0.000000      0.000000  
1 1 1 4  0  3  o 9.2560  0.1128 -0.000000      0.000000  
1 1 1 4  0  4  o 0.9873  0.4705 0.000000       0.000000  
1 1 1 4  0  5  o 11.490  0.1221 0.000000       0.000000  
1 1 1 4  0  6  o 2.9300  0.2168 -0.000000      0.000000  
1 1 1 4  0  7  o 0.9829  0.5097 0.000000       0.000000  
1 1 1 4  0  8  o 10.580  0.1014 -0.000000      0.000000  
1 1 1 4  0  9  o 17.110  0.1051 0.000000       0.000000  
1 1 1 4  0  10 o 23.130  0.1306 0.000000       0.000000  
1 1 1 4  0  11 o 26.880  0.1479 0.000000       0.000000  
1 1 1 4  0  12 o 16.060  0.1047 -0.000000      0.000000  
1 1 1 4  0  13 o 1.5280  0.4995 0.000000       0.000000  
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1 1 1 4  0  15 o 16.690  0.1265 -0.000000      0.000000  
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1 1 1 4  0  17 o 6.6710  0.1311 0.000000       0.000000  
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1 1 1 4  0  19 o 15.770  0.1325 0.000000       0.000000  
1 1 1 4  0  20 o 38.260  0.2411 0.000000       0.000000  
1 1 1 4  0  21 o 34.900  0.1932 0.000000       0.000000  
1 1 1 4  0  22 o 35.370  0.2277 -0.000000      0.000000  
1 1 1 4  0  23 o 8.9670  0.1461 0.000000       0.000000  
1 1 1 4  0  24 o 4.3290  0.2605 0.000000       0.000000  
1 1 1 4  0  25 o 24.900  0.1572 0.000000       0.000000  
1 1 1 4  0  26 o 11.550  0.1547 0.000000       0.000000  
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1 1 1 4  0  28 o 1.3610  0.6877 0.000000       0.000000  
1 1 1 4  0  29 o 11.550  0.1603 0.000000       0.000000  
1 1 1 4  0  30 o 14.900  0.1546 0.000000       0.000000  
1 1 1 4  0  31 o 12.770  0.1636 -0.000000      0.000000  
1 1 1 4  0  32 o 7.9140  0.2355 -0.000000      0.000000  
1 1 1 4  0  33 o 14.980  0.1489 0.000000       0.000000  
1 1 1 4  0  34 o 1.6820  0.7250 0.000000       0.000000  
1 1 1 4  0  35 o 5.1550  0.2693 0.000000       0.000000  
1 1 1 4  0  36 o 4.0840  0.3576 0.000000       0.000000  
1 1 1 4  0  37 o 18.740  0.1734 0.000000       0.000000  
1 1 1 4  0  38 o 22.250  0.2066 -0.000000      0.000000  
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1 1 1 4  0  70 o 7.2010  0.4120 0.000000       0.000000  
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1 1 1 4  1  0  o 21.760  0.1721 0.000000       0.000000  
1 1 1 4  1  1  o 6.2500  0.0834 0.5962000      0.1668000 
1 1 1 4  1  2  o 7.7080  0.0715 -0.1437000     0.1430000 
1 1 1 4  1  3  f 5.9520  0.0773 -0.2758000     0.1547000 
1 1 1 4  1  4  o 11.280  0.0775 0.8498000E-01  0.1550000 
1 1 1 4  1  5  o 4.7300  0.1029 -0.3079000     0.2058000 
1 1 1 4  1  6  o 9.1540  0.0872 -0.1147000E-01 0.1743000 
1 1 1 4  1  7  o 11.280  0.0915 -0.3831000     0.1830000 
1 1 1 4  1  8  o 14.800  0.0755 0.4584000E-01  0.1510000 
1 1 1 4  1  9  o 8.1090  0.0623 0.8455000E-01  0.1246000 
1 1 1 4  1  10 o 12.580  0.0649 -0.1041000     0.1299000 
1 1 1 4  1  11 o 10.120  0.0723 0.2379000      0.1446000 
1 1 1 4  1  12 o 5.2540  0.0817 0.2308000E-01  0.1634000 
1 1 1 4  1  13 o 16.780  0.0773 0.3007000      0.1545000 
1 1 1 4  1  14 o 11.950  0.0743 0.9771000E-02  0.1486000 
1 1 1 4  1  15 o 10.600  0.0805 -0.1871000     0.1610000 
1 1 1 4  1  16 o 13.810  0.0812 -0.5829000E-01 0.1624000 
1 1 1 4  1  17 o 19.000  0.0924 -0.5680000E-01 0.1848000 
1 1 1 4  1  18 o 6.2440  0.1057 0.3605000      0.2113000 
1 1 1 4  1  19 o 23.770  0.1104 0.4004000E-01  0.2208000 
1 1 1 4  1  20 o 10.390  0.1025 0.3718000      0.2050000 
1 1 1 4  1  21 o 10.020  0.0996 -0.2477000     0.1991000 
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1 1 1 4  1  23 o 18.900  0.1059 0.7872000E-01  0.2118000 
1 1 1 4  1  24 o 6.2430  0.1470 -0.8459000E-01 0.2940000 
1 1 1 4  1  25 o 2.8390  0.3184 1.490000       0.6368000 
1 1 1 4  1  26 o 11.160  0.0990 0.8840000E-01  0.1980000 
1 1 1 4  1  27 o 8.6990  0.1209 -0.2022000     0.2417000 
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1 1 1 4  1  30 o 9.4040  0.1186 0.4450000      0.2373000 
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1 1 1 4  1  32 o 10.160  0.1237 0.1677000      0.2474000 
1 1 1 4  1  33 o 9.9100  0.1240 0.8783000E-01  0.2480000 
1 1 1 4  1  34 o 8.7650  0.1345 0.3940000      0.2690000 
1 1 1 4  1  35 o 18.860  0.1002 0.2901000      0.2004000 
1 1 1 4  1  36 o 18.630  0.1087 0.4447000      0.2174000 
1 1 1 4  1  37 o 14.670  0.1211 -0.3167000E-01 0.2421000 
1 1 1 4  1  38 o 4.3750  0.2880 0.7194000      0.5759000 
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1 1 1 4  1  43 o 18.140  0.1161 0.1387000      0.2321000 
1 1 1 4  1  44 o 10.250  0.1506 0.4676000      0.3013000 
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1 1 1 4  1  46 o 12.870  0.1414 -0.2534000E-01 0.2828000 
1 1 1 4  1  47 o 9.7200  0.1837 0.4175000      0.3674000 
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1 1 1 4  1  50 o 21.510  0.1307 0.2866000      0.2615000 
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1 1 1 4  1  55 o 20.330  0.1255 0.2442000      0.2510000 
1 1 1 4  1  56 o 2.6590  0.5325 0.2472000      1.065000  
1 1 1 4  1  57 o 3.1560  0.4862 -0.1623000E-01 0.9724000 
1 1 1 4  1  58 o 8.0420  0.2105 -0.2534000     0.4210000 
1 1 1 4  1  59 o 5.6660  0.3038 -0.6359000     0.6075000 
1 1 1 4  1  60 o 4.2430  0.4290 -0.4109000     0.8579000 
1 1 1 4  1  61 o 1.9670  0.5321 0.9887000      1.064000  
1 1 1 4  1  62 o 4.7250  0.3758 0.1252000      0.7517000 
1 1 1 4  1  63 o 6.2480  0.2553 1.133000       0.5105000 
1 1 1 4  1  64 o 2.8610  0.5050 1.559000       1.010000  
1 1 1 4  1  65 o 12.170  0.1637 0.2969000      0.3273000 
1 1 1 4  1  66 o 10.110  0.1779 0.9606000E-01  0.3559000 
1 1 1 4  1  67 o 1.8030  0.5284 0.1815000      1.057000  
1 1 1 4  1  68 o 9.6820  0.2268 0.4582000      0.4535000 
1 1 1 4  1  69 o 1.9660  0.5874 0.6891000      1.175000  
1 1 1 4  1  70 o 10.120  0.2155 0.3278000E-01  0.4309000 
1 1 1 4  1  71 o 3.1720  0.5578 -2.444000      1.116000  
1 1 1 4  1  72 o 2.2370  0.6227 0.4194000      1.245000  
1 1 1 4  1  73 f 8.2820  0.2796 -0.6136000     0.5592000 
1 1 1 4  2  1  o 11.140  0.1599 ?              ?         
1 1 1 4  2  2  o 16.360  0.0922 0.1743000      0.1845000 
1 1 1 4  2  3  o 14.710  0.0877 -0.1424000     0.1754000 
1 1 1 4  2  4  o 12.000  0.0811 0.6599000E-01  0.1621000 
1 1 1 4  2  5  o 16.030  0.0935 -0.2454000     0.1870000 
1 1 1 4  2  6  o 24.920  0.1272 0.9122000E-01  0.2544000 
1 1 1 4  2  7  o 10.660  0.0777 -0.3458000     0.1555000 
1 1 1 4  2  8  o 10.480  0.0742 -0.3189000E-01 0.1484000 
1 1 1 4  2  9  o 12.830  0.0689 0.2518000      0.1377000 
1 1 1 4  2  10 o 13.910  0.0650 -0.1112000     0.1300000 
1 1 1 4  2  11 o 15.050  0.0683 -0.2686000     0.1365000 
1 1 1 4  2  12 o 19.060  0.0825 0.3298000      0.1650000 
1 1 1 4  2  13 o 9.0320  0.0709 -0.6612000E-01 0.1418000 
1 1 1 4  2  14 o 18.810  0.0890 0.1102000      0.1780000 
1 1 1 4  2  15 o 29.340  0.1158 -0.1980000     0.2316000 
1 1 1 4  2  16 o 23.720  0.1064 -0.1657000     0.2127000 
1 1 1 4  2  17 o 5.6700  0.1097 -0.2380000     0.2193000 
1 1 1 4  2  18 o 6.6090  0.1083 0.1146000      0.2167000 
1 1 1 4  2  19 o 12.050  0.1011 -0.1666000     0.2021000 
1 1 1 4  2  20 o 20.820  0.0984 -0.1095000     0.1969000 
1 1 1 4  2  21 o 20.330  0.1004 -0.1285000     0.2009000 
1 1 1 4  2  22 o 22.430  0.1063 -0.6481000E-01 0.2127000 
1 1 1 4  2  23 o 19.480  0.1018 0.2620000      0.2037000 
1 1 1 4  2  24 o 10.100  0.1027 -0.5508000     0.2054000 
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1 1 1 4  2  26 o 1.3000  0.3677 -0.4866000     0.7355000 
1 1 1 4  2  27 o 12.800  0.0905 -0.1143000     0.1810000 
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1 1 1 4  2  29 o 13.550  0.1165 -0.6232000E-01 0.2329000 
1 1 1 4  2  30 o 11.730  0.1135 0.4610000      0.2271000 
1 1 1 4  2  31 f 12.000  0.1042 0.8716000E-01  0.2085000 
1 1 1 4  2  32 o 7.0170  0.1560 0.3927000      0.3120000 
1 1 1 4  2  33 o 8.6000  0.1402 0.2809000      0.2804000 
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1 1 1 4  3  8  o 31.630  0.1161 -0.1473000     0.2322000 
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1 1 1 4  3  33 o 21.600  0.1050 -0.1943000     0.2099000 
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1 1 1 4  3  35 o 5.7270  0.2159 0.8340000      0.4319000 
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1 1 1 4  3  39 o 7.2620  0.1914 0.7570000      0.3829000 
1 1 1 4  3  40 o 18.270  0.1230 -0.5293000     0.2460000 
1 1 1 4  3  41 f 22.540  0.1325 0.2209000      0.2649000 
1 1 1 4  3  42 o 8.7610  0.2007 0.4645000      0.4013000 
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1 1 1 4  3  44 o 20.470  0.1401 -0.5227000E-01 0.2802000 
1 1 1 4  3  45 o 23.610  0.1379 -0.1358000     0.2758000 
1 1 1 4  3  46 o 16.870  0.1262 -0.1731000     0.2523000 
1 1 1 4  3  47 o 8.7660  0.1910 0.4356000      0.3820000 
1 1 1 4  3  48 o 10.150  0.1726 0.4115000      0.3453000 
1 1 1 4  3  49 o 11.940  0.1522 0.2811000      0.3044000 
1 1 1 4  3  50 o 5.4410  0.2941 -0.8660000     0.5882000 
1 1 1 4  3  51 o 15.720  0.1336 -0.4009000E-01 0.2671000 
1 1 1 4  3  52 o 8.4140  0.1975 -0.5489000E-01 0.3950000 
1 1 1 4  3  53 o 14.760  0.1580 0.2318000      0.3160000 
1 1 1 4  3  54 o 8.2080  0.2306 -0.1793000     0.4612000 
1 1 1 4  3  55 o 8.2240  0.2008 0.3735000      0.4016000 
1 1 1 4  3  56 o 12.890  0.1600 0.3363000      0.3200000 
1 1 1 4  3  57 o 10.430  0.1873 -0.2547000     0.3746000 
1 1 1 4  3  58 o 8.1390  0.2016 -0.1813000E-01 0.4032000 
1 1 1 4  3  59 o 17.170  0.1346 0.7552000E-01  0.2691000 
1 1 1 4  3  60 o 7.1290  0.2268 0.4346000      0.4536000 
1 1 1 4  3  61 o 8.9090  0.1919 0.5055000      0.3839000 
1 1 1 4  3  62 f 4.2840  0.3860 0.3673000      0.7721000 
1 1 1 4  3  63 o 5.5930  0.3193 -0.3792000     0.6387000 
1 1 1 4  3  64 o 7.9960  0.2451 -0.3415000E-01 0.4901000 
1 1 1 4  3  65 o 8.3940  0.2385 0.5486000E-01  0.4771000 
1 1 1 4  3  66 o 5.3600  0.4249 1.155000       0.8497000 
1 1 1 4  3  67 o 7.4940  0.2588 0.6991000      0.5175000 
1 1 1 4  3  68 o 7.0480  0.2485 -0.2872000     0.4970000 
1 1 1 4  3  69 o 3.3580  0.5253 -0.2267000     1.051000  
1 1 1 4  3  70 o 4.5220  0.3974 0.1480000      0.7948000 
1 1 1 4  3  71 o 5.3460  0.3565 -0.2062000     0.7129000 
1 1 1 4  3  72 o 7.1730  0.2812 0.9893000      0.5624000 
1 1 1 4  3  73 o 3.8120  0.5207 -1.639000      1.041000  
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1 1 1 4  4  13 o 41.410  0.2569 -0.000000      0.000000  
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1 1 1 5  0  33 o 11.090  0.1821 0.000000       0.000000  
1 1 1 5  0  34 o 27.670  0.1800 0.000000       0.000000  
1 1 1 5  0  35 o 11.330  0.1867 -0.000000      0.000000  
1 1 1 5  0  36 o 17.250  0.1958 -0.000000      0.000000  
1 1 1 5  0  37 f 22.310  0.2364 0.000000       0.000000  
1 1 1 5  0  38 o 9.4930  0.2132 0.000000       0.000000  
1 1 1 5  0  39 o 31.230  0.1794 -0.000000      0.000000  
1 1 1 5  0  40 o 11.700  0.1856 0.000000       0.000000  
1 1 1 5  0  41 o 3.4260  0.5592 -0.000000      0.000000  
1 1 1 5  0  42 o 4.6730  0.4005 0.000000       0.000000  
1 1 1 5  0  43 o 11.620  0.1911 0.000000       0.000000  
1 1 1 5  0  44 o 7.5480  0.2673 0.000000       0.000000  
1 1 1 5  0  45 o 7.7480  0.2676 0.000000       0.000000  
1 1 1 5  0  46 o 13.630  0.1843 -0.000000      0.000000  
1 1 1 5  0  47 o 20.560  0.1636 -0.000000      0.000000  
1 1 1 5  0  48 o 3.7370  0.6887 0.000000       0.000000  
1 1 1 5  0  49 o 28.210  0.1901 0.000000       0.000000  
1 1 1 5  0  50 o 30.760  0.2241 0.000000       0.000000  
1 1 1 5  0  51 o 4.4490  0.5777 -0.000000      0.000000  
1 1 1 5  0  52 o 8.2350  0.2788 -0.000000      0.000000  
1 1 1 5  0  53 o 5.8610  0.3943 -0.000000      0.000000  
1 1 1 5  0  54 o 10.350  0.2442 -0.000000      0.000000  
1 1 1 5  0  55 o 16.240  0.1808 0.000000       0.000000  
1 1 1 5  0  56 o 9.7200  0.2384 -0.000000      0.000000  
1 1 1 5  0  57 o 3.4420  0.7411 -0.000000      0.000000  
1 1 1 5  0  58 o 4.7540  0.5468 -0.000000      0.000000  
1 1 1 5  0  59 o 5.2640  0.4449 -0.000000      0.000000  
1 1 1 5  0  60 o 9.1380  0.2512 -0.000000      0.000000  
1 1 1 5  0  61 o 7.4190  0.3117 0.000000       0.000000  
1 1 1 5  0  62 o 1.5560  0.8801 -0.000000      0.000000  
1 1 1 5  0  63 o 1.4580  0.8451 -0.000000      0.000000  
1 1 1 5  0  64 o 1.2930  0.7979 -0.000000      0.000000  
1 1 1 5  0  65 o 1.8210  0.9160 -0.000000      0.000000  
1 1 1 5  0  66 o 2.3580  0.9211 0.000000       0.000000  
1 1 1 5  0  67 o 1.3580  0.8382 -0.000000      0.000000  
1 1 1 5  0  68 o 1.0700  0.7360 -0.000000      0.000000  
1 1 1 5  0  69 o 5.3150  0.5247 -0.000000      0.000000  
1 1 1 5  0  70 o 1.2290  0.8000 0.000000       0.000000  
1 1 1 5  0  71 o 3.6480  0.8910 0.000000       0.000000  
1 1 1 5  0  72 o 1.6170  1.0140 -0.000000      0.000000  
1 1 1 5  0  73 o 6.1080  0.5274 -0.000000      0.000000  
1 1 1 5  1  0  o 2.2110  0.2074 0.000000       0.000000  
1 1 1 5  1  1  o 16.190  0.0787 0.1037000      0.1574000 
1 1 1 5  1  2  o 15.290  0.0915 0.1137000      0.1831000 
1 1 1 5  1  3  o 17.050  0.0974 0.1898000      0.1947000 
1 1 1 5  1  4  f 7.8790  0.0758 0.1621000      0.1515000 
1 1 1 5  1  5  o 9.0580  0.0849 -0.3202000     0.1699000 
1 1 1 5  1  6  o 13.590  0.1003 -0.1488000     0.2006000 
1 1 1 5  1  7  o 33.640  0.1815 -0.5409000E-01 0.3630000 
1 1 1 5  1  8  o 11.170  0.1003 -0.7647000E-01 0.2006000 
1 1 1 5  1  9  o 18.470  0.1079 -0.1776000     0.2159000 
1 1 1 5  1  10 o 11.500  0.0766 0.9857000E-01  0.1531000 
1 1 1 5  1  11 o 15.670  0.0877 0.2699000E-01  0.1753000 
1 1 1 5  1  12 o 23.080  0.1084 0.5028000E-01  0.2169000 
1 1 1 5  1  13 o 21.260  0.1027 0.1850000      0.2054000 
1 1 1 5  1  14 o 30.150  0.1268 -0.2839000     0.2537000 
1 1 1 5  1  15 o 10.780  0.0779 -0.3615000E-01 0.1558000 
1 1 1 5  1  16 o 19.090  0.0978 0.1016000E-01  0.1956000 
1 1 1 5  1  17 o 38.340  0.1685 -0.2466000     0.3370000 
1 1 1 5  1  18 o 31.730  0.1250 -0.1540000     0.2500000 
1 1 1 5  1  19 o 7.1700  0.1107 0.3259000      0.2214000 
1 1 1 5  1  20 o 23.750  0.1117 -0.1093000E-02 0.2234000 
1 1 1 5  1  21 o 20.170  0.1034 -0.1139000     0.2068000 
1 1 1 5  1  22 o 23.550  0.1046 0.3172000E-01  0.2091000 
1 1 1 5  1  23 o 15.620  0.0880 0.1376000E-01  0.1759000 
1 1 1 5  1  24 o 11.520  0.1036 -0.1130000E-01 0.2072000 
1 1 1 5  1  25 o 9.3030  0.1300 0.8588000E-01  0.2600000 
1 1 1 5  1  26 o 11.150  0.1101 0.1021000E-01  0.2202000 
1 1 1 5  1  27 o 6.6140  0.1381 0.1270000E-01  0.2763000 
1 1 1 5  1  28 o 15.890  0.1028 -0.7165000E-01 0.2056000 
1 1 1 5  1  29 o 5.4210  0.2137 0.2644000      0.4275000 
1 1 1 5  1  30 o 3.3240  0.3265 -0.5675000     0.6530000 
1 1 1 5  1  31 o 3.7250  0.2937 0.9673000      0.5874000 
1 1 1 5  1  32 o 9.3270  0.1545 -0.1735000     0.3091000 
1 1 1 5  1  33 o 12.260  0.1447 -0.1543000     0.2893000 
1 1 1 5  1  34 o 17.990  0.1229 -0.3554000E-01 0.2458000 
1 1 1 5  1  35 o 4.4600  0.3080 1.129000       0.6160000 
1 1 1 5  1  36 o 29.200  0.1334 0.4485000      0.2668000 
1 1 1 5  1  37 o 26.620  0.1398 -0.9065000E-01 0.2796000 
1 1 1 5  1  38 o 14.720  0.1275 -0.1727000     0.2549000 
1 1 1 5  1  39 f 18.700  0.1151 0.1208000E-01  0.2303000 
1 1 1 5  1  40 o 9.7480  0.1520 -0.1676000E-01 0.3039000 
1 1 1 5  1  41 o 15.070  0.1225 -0.4879000E-01 0.2450000 
1 1 1 5  1  42 o 10.280  0.1505 0.4410000      0.3011000 
1 1 1 5  1  43 o 22.200  0.1104 0.7326000E-01  0.2208000 
1 1 1 5  1  44 o 8.4710  0.1733 -0.1680000     0.3467000 
1 1 1 5  1  45 o 14.280  0.1253 0.1892000      0.2507000 
1 1 1 5  1  46 o 14.930  0.1316 -0.1980000E-01 0.2632000 
1 1 1 5  1  47 o 14.940  0.1334 -0.1930000     0.2669000 
1 1 1 5  1  48 o 5.4790  0.2992 0.9093000      0.5985000 
1 1 1 5  1  49 o 18.560  0.1276 0.6539000E-01  0.2553000 
1 1 1 5  1  50 o 18.250  0.1418 -0.3595000     0.2835000 
1 1 1 5  1  51 o 12.550  0.1585 -0.2981000     0.3169000 
1 1 1 5  1  52 o 2.8510  0.5865 -0.7435000E-01 1.173000  
1 1 1 5  1  53 o 5.4900  0.3158 0.6078000E-01  0.6317000 
1 1 1 5  1  54 o 7.1800  0.2155 0.3348000      0.4309000 
1 1 1 5  1  55 o 8.3460  0.1975 0.6763000E-01  0.3949000 
1 1 1 5  1  56 o 8.3790  0.2046 0.5320000      0.4091000 
1 1 1 5  1  57 o 11.420  0.1642 -0.4319000     0.3285000 
1 1 1 5  1  58 o 4.5860  0.3583 0.7615000      0.7166000 
1 1 1 5  1  59 o 7.6090  0.2136 -0.3419000     0.4273000 
1 1 1 5  1  60 o 4.8930  0.3523 0.8411000      0.7047000 
1 1 1 5  1  61 o 14.580  0.1521 -0.3999000     0.3043000 
1 1 1 5  1  62 o 7.9810  0.2226 -0.5629000     0.4451000 
1 1 1 5  1  63 o 5.1420  0.3468 -0.8600000     0.6937000 
1 1 1 5  1  64 o 2.8660  0.5072 1.124000       1.014000  
1 1 1 5  1  65 o 5.5740  0.2847 0.1530000      0.5694000 
1 1 1 5  1  66 o 11.970  0.1605 0.2257000      0.3211000 
1 1 1 5  1  67 o 5.7990  0.2975 -0.9522000     0.5950000 
1 1 1 5  1  68 o 3.1600  0.5450 0.1230000      1.090000  
1 1 1 5  1  69 o 4.3340  0.4423 -0.5502000     0.8846000 
1 1 1 5  1  70 f 5.9570  0.3230 0.1214000      0.6461000 
1 1 1 5  1  71 o 3.8360  0.4871 0.3700000      0.9743000 
1 1 1 5  1  72 o 4.6250  0.5198 -2.139000      1.040000  
1 1 1 5  1  73 o 7.0470  0.3153 0.3967000E-02  0.6306000 
1 1 1 5  2  0  o 17.420  0.1474 -0.000000      0.000000  
1 1 1 5  2  1  o 13.110  0.1077 ?              ?         
1 1 1 5  2  2  o 8.2980  0.0830 -0.5307000     0.1659000 
1 1 1 5  2  3  o 10.610  0.0840 0.2404000      0.1679000 
1 1 1 5  2  4  o 15.420  0.0944 0.1507000      0.1888000 
1 1 1 5  2  5  o 0.9580  0.2853 -0.2231000     0.5707000 
1 1 1 5  2  6  o 8.9530  0.0894 0.2469000      0.1788000 
1 1 1 5  2  7  o 18.320  0.1065 0.1026000      0.2129000 
1 1 1 5  2  8  o 11.740  0.0945 -0.2388000     0.1890000 
1 1 1 5  2  9  o 16.170  0.1034 0.8132000E-01  0.2068000 
1 1 1 5  2  10 o 15.410  0.0915 0.4702000E-01  0.1830000 
1 1 1 5  2  11 o 4.9850  0.1420 -0.4640000     0.2839000 
1 1 1 5  2  12 o 25.770  0.1187 0.2009000      0.2374000 
1 1 1 5  2  13 o 19.340  0.0916 -0.4239000E-01 0.1833000 
1 1 1 5  2  14 o 23.690  0.1167 0.1659000      0.2333000 
1 1 1 5  2  15 o 5.3390  0.1092 0.1600000      0.2185000 
1 1 1 5  2  16 o 21.560  0.1026 0.6949000E-01  0.2053000 
1 1 1 5  2  17 o 17.900  0.0883 -0.6777000E-01 0.1766000 
1 1 1 5  2  18 o 14.810  0.1005 0.1508000      0.2010000 
1 1 1 5  2  19 f 11.880  0.0798 -0.2333000E-01 0.1596000 
1 1 1 5  2  20 o 30.520  0.1168 0.8697000E-01  0.2336000 
1 1 1 5  2  21 o 14.720  0.0920 -0.3467000     0.1840000 
1 1 1 5  2  22 o 16.430  0.0958 -0.8343000E-01 0.1916000 
1 1 1 5  2  23 o 8.2830  0.1202 -0.7255000     0.2404000 
1 1 1 5  2  24 o 5.8320  0.1380 -0.6879000E-01 0.2760000 
1 1 1 5  2  25 o 7.8380  0.1206 0.3966000E-01  0.2411000 
1 1 1 5  2  26 o 3.2070  0.2684 -0.1236000     0.5369000 
1 1 1 5  2  27 o 8.6510  0.1211 0.1915000      0.2422000 
1 1 1 5  2  28 o 9.3830  0.1135 -0.2214000     0.2270000 
1 1 1 5  2  29 o 8.1420  0.1340 -0.1098000     0.2681000 
1 1 1 5  2  30 o 17.000  0.1105 -0.4896000E-01 0.2209000 
1 1 1 5  2  31 o 7.8510  0.1630 0.2425000      0.3261000 
1 1 1 5  2  32 o 8.5290  0.1442 0.3709000      0.2885000 
1 1 1 5  2  33 o 17.610  0.1076 0.2644000E-01  0.2153000 
1 1 1 5  2  34 o 17.900  0.1214 0.2337000      0.2427000 
1 1 1 5  2  35 o 22.950  0.1283 0.6542000E-02  0.2566000 
1 1 1 5  2  36 o 3.4500  0.3677 -1.251000      0.7353000 
1 1 1 5  2  37 o 7.1090  0.1957 0.6409000      0.3913000 
1 1 1 5  2  38 o 9.2310  0.1676 0.3638000      0.3352000 
1 1 1 5  2  39 o 23.400  0.1228 0.2271000      0.2456000 
1 1 1 5  2  40 o 21.760  0.1160 0.2739000      0.2320000 
1 1 1 5  2  41 o 10.050  0.1519 0.5739000      0.3038000 
1 1 1 5  2  42 o 11.400  0.1435 -0.3582000     0.2870000 
1 1 1 5  2  43 o 10.460  0.1519 -0.2314000     0.3037000 
1 1 1 5  2  44 o 19.350  0.1183 -0.3857000     0.2366000 
1 1 1 5  2  45 o 13.140  0.1382 0.3420000      0.2765000 
1 1 1 5  2  46 o 18.580  0.1230 0.6361000E-01  0.2459000 
1 1 1 5  2  47 o 13.130  0.1434 0.2600000      0.2867000 
1 1 1 5  2  48 o 25.220  0.1240 -0.8861000E-01 0.2480000 
1 1 1 5  2  49 o 26.980  0.1201 -0.2841000     0.2401000 
1 1 1 5  2  50 o 8.8310  0.1904 0.3753000      0.3808000 
1 1 1 5  2  51 o 18.510  0.1273 -0.7508000E-01 0.2546000 
1 1 1 5  2  52 o 18.100  0.1386 0.2724000E-01  0.2773000 
1 1 1 5  2  53 o 9.0190  0.2161 -0.2363000     0.4323000 
1 1 1 5  2  54 o 8.4970  0.2099 -0.2558000     0.4199000 
1 1 1 5  2  55 o 13.430  0.1637 0.4677000      0.3275000 
1 1 1 5  2  56 o 9.4750  0.1953 -0.9881000E-01 0.3907000 
1 1 1 5  2  57 o 5.7160  0.2910 -0.4754000     0.5820000 
1 1 1 5  2  58 o 3.9240  0.4038 -0.9745000     0.8075000 
1 1 1 5  2  59 o 4.3820  0.3966 -1.236000      0.7932000 
1 1 1 5  2  60 f 2.7250  0.5124 1.592000       1.025000  
1 1 1 5  2  61 o 9.9210  0.1822 0.2708000E-01  0.3643000 
1 1 1 5  2  62 o 3.8260  0.4234 -0.2384000     0.8469000 
1 1 1 5  2  63 o 9.6230  0.1841 0.5051000      0.3682000 
1 1 1 5  2  64 o 3.9310  0.4065 0.2400000      0.8130000 
1 1 1 5  2  65 o 1.4800  0.4632 -0.6327000     0.9265000 
1 1 1 5  2  66 o 6.2260  0.2915 0.2125000      0.5830000 
1 1 1 5  2  67 o 2.1990  0.5624 -0.1935000     1.125000  
1 1 1 5  2  68 o 6.7220  0.2627 -0.6895000     0.5253000 
1 1 1 5  2  69 o 6.8020  0.2947 -0.6023000     0.5894000 
1 1 1 5  2  70 o 12.050  0.1853 0.2310000E-01  0.3707000 
1 1 1 5  2  71 o 9.8510  0.2100 -0.3807000     0.4200000 
1 1 1 5  2  72 o 1.5470  0.5036 -0.4094000     1.007000  
1 1 1 5  2  73 o 3.0280  0.5401 -2.188000      1.080000  
1 1 1 5  3  0  o 1.3350  0.4923 -0.000000      0.000000  
1 1 1 5  3  1  o 10.050  0.0861 -0.1672000E-01 0.1721000 
1 1 1 5  3  2  o 6.5500  0.0921 -0.2314000     0.1841000 
1 1 1 5  3  3  o 14.430  0.1154 ?              ?         
1 1 1 5  3  4  o 11.240  0.0793 -0.1979000     0.1587000 
1 1 1 5  3  5  o 5.4800  0.0989 0.1942000      0.1978000 
1 1 1 5  3  6  o 12.320  0.0826 -0.2049000     0.1652000 
1 1 1 5  3  7  o 4.0680  0.1261 -0.5264000E-01 0.2521000 
1 1 1 5  3  8  o 7.3230  0.0839 -0.2363000     0.1677000 
1 1 1 5  3  9  o 25.790  0.1054 -0.1009000     0.2108000 
1 1 1 5  3  10 o 10.880  0.1021 0.2072000      0.2042000 
1 1 1 5  3  11 o 18.410  0.1131 -0.1407000E-01 0.2261000 
1 1 1 5  3  12 o 11.580  0.0961 -0.3657000E-01 0.1922000 
1 1 1 5  3  13 o 24.660  0.1090 0.3383000      0.2180000 
1 1 1 5  3  14 o 13.020  0.0770 -0.3039000E-01 0.1540000 
1 1 1 5  3  15 o 9.8090  0.0836 0.3284000E-01  0.1672000 
1 1 1 5  3  16 o 7.6450  0.0874 0.3184000E-01  0.1749000 
1 1 1 5  3  17 o 8.0360  0.1153 -0.4190000     0.2306000 
1 1 1 5  3  18 o 24.500  0.1220 -0.1022000     0.2440000 
1 1 1 5  3  19 o 17.150  0.0912 0.9682000E-01  0.1824000 
1 1 1 5  3  20 o 11.820  0.0897 -0.2771000     0.1794000 
1 1 1 5  3  21 o 19.780  0.0915 0.1523000      0.1830000 
1 1 1 5  3  22 o 15.180  0.0987 0.1122000      0.1973000 
1 1 1 5  3  23 o 7.7470  0.1131 -0.3725000     0.2262000 
1 1 1 5  3  24 o 8.2470  0.1132 0.3764000      0.2264000 
1 1 1 5  3  25 o 12.010  0.0950 0.6003000E-01  0.1900000 
1 1 1 5  3  26 o 4.2980  0.1926 0.8878000E-01  0.3852000 
1 1 1 5  3  27 o 13.030  0.0909 0.1850000      0.1819000 
1 1 1 5  3  28 o 9.1040  0.1134 -0.3884000E-01 0.2269000 
1 1 1 5  3  29 o 16.320  0.0969 0.1611000      0.1937000 
1 1 1 5  3  30 o 15.250  0.0949 0.1399000      0.1899000 
1 1 1 5  3  31 f 10.160  0.1205 0.2041000      0.2410000 
1 1 1 5  3  32 o 11.460  0.1306 0.1094000      0.2613000 
1 1 1 5  3  33 o 9.6700  0.1517 -0.4523000     0.3035000 
1 1 1 5  3  34 o 14.480  0.1149 0.9241000E-03  0.2298000 
1 1 1 5  3  35 o 17.300  0.1109 0.2782000      0.2218000 
1 1 1 5  3  36 o 20.180  0.1259 -0.1849000     0.2518000 
1 1 1 5  3  37 o 7.8950  0.1795 0.5110000      0.3590000 
1 1 1 5  3  38 o 17.310  0.1172 0.2457000      0.2343000 
1 1 1 5  3  39 o 11.870  0.1405 -0.2576000     0.2809000 
1 1 1 5  3  40 f 13.030  0.1446 0.3397000E-01  0.2892000 
1 1 1 5  3  41 o 12.190  0.1446 -0.2545000     0.2892000 
1 1 1 5  3  42 o 7.9540  0.2089 -0.2415000     0.4177000 
1 1 1 5  3  43 o 20.220  0.1351 -0.1617000     0.2702000 
1 1 1 5  3  44 o 12.500  0.1527 0.1050000      0.3054000 
1 1 1 5  3  45 o 11.270  0.1822 -0.3026000     0.3644000 
1 1 1 5  3  46 o 5.2430  0.3209 0.7306000E-01  0.6419000 
1 1 1 5  3  47 o 21.290  0.1269 0.2819000      0.2539000 
1 1 1 5  3  48 o 2.6940  0.5664 -0.4816000     1.133000  
1 1 1 5  3  49 o 9.3120  0.1844 -0.3439000     0.3687000 
1 1 1 5  3  50 o 17.260  0.1291 0.1658000      0.2581000 
1 1 1 5  3  51 o 7.0440  0.2338 -0.8667000     0.4675000 
1 1 1 5  3  52 o 16.800  0.1302 0.4992000      0.2603000 
1 1 1 5  3  53 o 7.1880  0.2225 0.1702000      0.4451000 
1 1 1 5  3  54 o 4.0060  0.4760 -1.872000      0.9521000 
1 1 1 5  3  55 o 3.7590  0.5475 0.4125000      1.095000  
1 1 1 5  3  56 o 10.460  0.1873 -0.9745000E-01 0.3746000 
1 1 1 5  3  57 o 4.8410  0.3190 -0.1289000     0.6381000 
1 1 1 5  3  58 o 11.720  0.1569 -0.4229000     0.3137000 
1 1 1 5  3  59 o 8.2280  0.1972 -0.1068000     0.3944000 
1 1 1 5  3  60 o 7.4040  0.2272 -0.1160000     0.4544000 
1 1 1 5  3  61 o 7.0940  0.2357 -0.3562000     0.4714000 
1 1 1 5  3  62 o 8.3920  0.2040 0.4668000      0.4079000 
1 1 1 5  3  63 o 6.1080  0.2699 0.2164000      0.5397000 
1 1 1 5  3  64 o 2.3550  0.5538 -0.1257000     1.108000  
1 1 1 5  3  65 o 7.6420  0.2654 0.9611000E-01  0.5308000 
1 1 1 5  3  66 o 4.2490  0.4173 -0.6502000     0.8345000 
1 1 1 5  3  67 f 2.0320  0.5578 -0.3110000     1.116000  
1 1 1 5  3  68 o 8.7040  0.2204 0.1241000E-01  0.4408000 
1 1 1 5  3  69 o 1.9490  0.5498 0.4285000      1.100000  
1 1 1 5  3  70 o 7.5890  0.2491 1.021000       0.4983000 
1 1 1 5  3  71 f 6.5530  0.3055 0.2731000      0.6111000 
1 1 1 5  3  72 o 2.9020  0.5896 -0.8476000     1.179000  
1 1 1 5  3  73 o 8.4990  0.2578 0.1188000      0.5156000 
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1 1 1 6  1  52 o 4.2900  0.4298 0.8377000      0.8596000 
1 1 1 6  1  53 f 9.8030  0.1907 -0.3185000     0.3813000 
1 1 1 6  1  54 o 6.3740  0.2711 -0.3665000E-01 0.5422000 
1 1 1 6  1  55 o 15.860  0.1346 0.1853000      0.2691000 
1 1 1 6  1  56 o 4.7390  0.3696 -0.7452000     0.7392000 
1 1 1 6  1  57 o 12.150  0.1732 0.5850000      0.3464000 
1 1 1 6  1  58 o 11.890  0.1670 0.5471000E-01  0.3339000 
1 1 1 6  1  59 o 5.8680  0.2733 -0.6288000     0.5466000 
1 1 1 6  1  60 o 11.460  0.1525 -0.1854000     0.3051000 
1 1 1 6  1  61 o 6.9240  0.2247 0.7970000E-02  0.4494000 
1 1 1 6  1  62 o 6.2840  0.2440 0.8512000E-01  0.4880000 
1 1 1 6  1  63 o 2.4970  0.5284 -0.1637000     1.057000  
1 1 1 6  1  64 o 7.5380  0.2078 -0.2493000     0.4156000 
1 1 1 6  1  65 f 2.1740  0.5620 -0.8959000E-01 1.124000  
1 1 1 6  1  66 o 5.9170  0.2707 -0.2940000     0.5414000 
1 1 1 6  1  67 o 1.8600  0.5263 0.5975000      1.053000  
1 1 1 6  1  68 o 4.0040  0.4185 0.3805000      0.8370000 
1 1 1 6  1  69 o 3.8380  0.4916 0.7030000      0.9833000 
1 1 1 6  1  70 o 4.3660  0.4113 -0.6158000     0.8227000 
1 1 1 6  1  71 o 2.7660  0.5652 -1.159000      1.130000  
1 1 1 6  1  72 o 4.3230  0.4543 -0.4698000     0.9086000 
1 1 1 6  1  73 o 7.4920  0.3229 -0.6702000     0.6457000 
1 1 1 6  2  0  o 12.660  0.1148 0.000000       0.000000  
1 1 1 6  2  1  o 17.550  0.0921 -0.3604000     0.1842000 
1 1 1 6  2  2  o 16.410  0.0890 -0.5895000E-01 0.1781000 
1 1 1 6  2  3  o 23.840  0.1121 -0.1966000     0.2242000 
1 1 1 6  2  4  o 8.9780  0.0809 0.4334000E-01  0.1617000 
1 1 1 6  2  5  o 23.670  0.1265 0.2598000      0.2529000 
1 1 1 6  2  6  o 11.790  0.0826 -0.1207000     0.1653000 
1 1 1 6  2  7  o 25.340  0.1341 0.8516000E-01  0.2683000 
1 1 1 6  2  8  o 25.490  0.1358 0.1363000      0.2716000 
1 1 1 6  2  9  o 23.440  0.2012 -0.3813000     0.4023000 
1 1 1 6  2  10 o 24.060  0.1772 -0.7772000E-01 0.3545000 
1 1 1 6  2  11 o 17.190  0.1230 0.1530000      0.2459000 
1 1 1 6  2  12 o 20.810  0.1135 -0.4635000     0.2270000 
1 1 1 6  2  13 o 13.000  0.1007 -0.3023000     0.2013000 
1 1 1 6  2  14 o 12.100  0.0917 0.1438000      0.1833000 
1 1 1 6  2  15 o 11.330  0.0928 0.1846000      0.1856000 
1 1 1 6  2  16 o 22.650  0.1078 -0.1523000     0.2156000 
1 1 1 6  2  17 o 19.940  0.0916 -0.5548000E-02 0.1831000 
1 1 1 6  2  18 o 24.830  0.1050 -0.1459000E-01 0.2100000 
1 1 1 6  2  19 o 26.130  0.1183 0.3684000E-01  0.2367000 
1 1 1 6  2  20 o 29.730  0.1257 0.1378000      0.2513000 
1 1 1 6  2  21 o 12.200  0.0970 0.5716000E-01  0.1940000 
1 1 1 6  2  22 o 22.020  0.1064 0.2650000      0.2128000 
1 1 1 6  2  23 o 10.960  0.1011 -0.8608000E-01 0.2021000 
1 1 1 6  2  24 o 7.6190  0.1149 -0.1856000     0.2299000 
1 1 1 6  2  25 o 12.460  0.0986 -0.1072000     0.1972000 
1 1 1 6  2  26 o 9.4870  0.1120 -0.3450000     0.2241000 
1 1 1 6  2  27 o 12.920  0.1028 -0.8462000E-01 0.2057000 
1 1 1 6  2  28 o 11.030  0.1051 -0.1288000     0.2102000 
1 1 1 6  2  29 o 7.8590  0.1305 0.2857000      0.2609000 
1 1 1 6  2  30 o 10.120  0.1221 -0.2285000E-01 0.2442000 
1 1 1 6  2  31 o 15.500  0.1058 -0.3295000     0.2115000 
1 1 1 6  2  32 o 22.600  0.1476 0.9681000E-01  0.2952000 
1 1 1 6  2  33 o 32.730  0.1630 -0.5712000     0.3260000 
1 1 1 6  2  34 o 20.300  0.1206 0.2864000      0.2412000 
1 1 1 6  2  35 f 9.1490  0.1630 0.2753000      0.3261000 
1 1 1 6  2  36 o 14.730  0.1607 -0.4653000     0.3214000 
1 1 1 6  2  37 o 13.800  0.1351 0.2438000      0.2702000 
1 1 1 6  2  38 o 12.930  0.1297 0.4561000      0.2595000 
1 1 1 6  2  39 f 9.8140  0.1544 0.3210000      0.3089000 
1 1 1 6  2  40 o 16.720  0.1225 0.5029000E-01  0.2451000 
1 1 1 6  2  41 o 19.270  0.1179 -0.3440000     0.2358000 
1 1 1 6  2  42 o 3.8950  0.3677 0.1239000      0.7354000 
1 1 1 6  2  43 o 13.740  0.1335 0.1879000E-01  0.2671000 
1 1 1 6  2  44 o 26.500  0.1208 0.7847000E-01  0.2415000 
1 1 1 6  2  45 o 3.7890  0.4164 1.140000       0.8328000 
1 1 1 6  2  46 o 4.1490  0.3681 -0.7207000     0.7363000 
1 1 1 6  2  47 o 13.170  0.1423 -0.5867000     0.2846000 
1 1 1 6  2  48 o 9.2240  0.1919 0.1837000      0.3838000 
1 1 1 6  2  49 o 5.4810  0.3099 0.5944000      0.6198000 
1 1 1 6  2  50 o 20.610  0.1198 0.1856000      0.2396000 
1 1 1 6  2  51 o 9.4810  0.1791 -0.3607000     0.3582000 
1 1 1 6  2  52 o 13.950  0.1409 0.8570000E-01  0.2819000 
1 1 1 6  2  53 o 9.4540  0.1837 0.3931000      0.3674000 
1 1 1 6  2  54 o 11.400  0.1682 0.8143000E-01  0.3364000 
1 1 1 6  2  55 o 6.7410  0.2696 -0.1302000     0.5392000 
1 1 1 6  2  56 o 4.2310  0.4000 0.1611000      0.8001000 
1 1 1 6  2  57 o 1.5390  0.4885 -0.7367000E-01 0.9770000 
1 1 1 6  2  58 o 5.0640  0.3257 1.058000       0.6513000 
1 1 1 6  2  59 o 2.9600  0.4755 1.994000       0.9509000 
1 1 1 6  2  60 o 10.0000 0.1798 -0.6306000     0.3596000 
1 1 1 6  2  61 o 4.4130  0.3491 0.9382000      0.6982000 
1 1 1 6  2  62 o 4.2980  0.3635 -0.1602000     0.7270000 
1 1 1 6  2  63 o 6.9300  0.2360 0.6039000E-01  0.4719000 
1 1 1 6  2  64 o 7.6780  0.2271 -0.4585000     0.4541000 
1 1 1 6  2  65 o 1.3630  0.4541 0.1699000      0.9083000 
1 1 1 6  2  66 o 3.5440  0.4391 0.3056000      0.8782000 
1 1 1 6  2  67 o 2.3220  0.5134 1.353000       1.027000  
1 1 1 6  2  68 o 5.5620  0.3096 -0.6836000     0.6192000 
1 1 1 6  2  69 o 3.6810  0.5092 -2.260000      1.018000  
1 1 1 6  2  70 o 2.6790  0.5744 -1.453000      1.149000  
1 1 1 6  2  71 o 3.6610  0.5167 -1.571000      1.033000  
1 1 1 6  2  72 o 9.4390  0.2076 -0.1828000     0.4152000 
1 1 1 6  2  73 o 3.4710  0.5472 -0.6522000     1.094000  
1 1 1 6  3  0  o 6.9300  0.1412 0.000000       0.000000  
1 1 1 6  3  1  o 24.050  0.1357 -0.2169000     0.2715000 
1 1 1 6  3  2  o 22.220  0.1185 -0.3437000     0.2370000 
1 1 1 6  3  3  o 2.1910  0.2339 -0.9441000     0.4679000 
1 1 1 6  3  4  o 15.250  0.0879 -0.1655000     0.1757000 
1 1 1 6  3  5  o 23.770  0.1284 -0.1329000     0.2568000 
1 1 1 6  3  6  o 13.980  0.0999 0.3328000      0.1999000 
1 1 1 6  3  7  o 10.550  0.0998 -0.5291000     0.1996000 
1 1 1 6  3  8  o 6.0080  0.1703 0.5641000E-01  0.3406000 
1 1 1 6  3  9  o 9.1920  0.1141 0.9306000E-01  0.2283000 
1 1 1 6  3  10 o 14.030  0.1061 -0.7051000E-01 0.2123000 
1 1 1 6  3  11 o 24.290  0.1358 -0.4328000     0.2717000 
1 1 1 6  3  12 o 9.0460  0.1213 -0.4776000     0.2426000 
1 1 1 6  3  13 o 15.790  0.0896 -0.7825000E-01 0.1791000 
1 1 1 6  3  14 o 15.550  0.0894 0.1062000      0.1789000 
1 1 1 6  3  15 o 16.620  0.1108 0.1693000      0.2215000 
1 1 1 6  3  16 o 6.9360  0.0879 -0.4261000E-01 0.1758000 
1 1 1 6  3  17 o 12.070  0.0761 0.4280000      0.1522000 
1 1 1 6  3  18 o 14.090  0.0847 -0.2319000     0.1695000 
1 1 1 6  3  19 o 8.1150  0.0949 -0.1653000E-01 0.1898000 
1 1 1 6  3  20 o 11.860  0.0888 0.6386000E-01  0.1777000 
1 1 1 6  3  21 o 7.5000  0.1098 -0.3431000     0.2196000 
1 1 1 6  3  22 o 18.350  0.0955 0.1730000      0.1910000 
1 1 1 6  3  23 o 7.3950  0.1155 -0.8043000E-02 0.2311000 
1 1 1 6  3  24 o 5.9470  0.1408 0.8976000E-01  0.2815000 
1 1 1 6  3  25 o 9.0600  0.1062 -0.6038000E-01 0.2125000 
1 1 1 6  3  26 o 13.410  0.0949 -0.2599000     0.1898000 
1 1 1 6  3  27 o 10.320  0.1059 -0.1075000     0.2118000 
1 1 1 6  3  28 o 14.120  0.0992 -0.3051000     0.1985000 
1 1 1 6  3  29 o 6.1410  0.1664 0.2837000E-01  0.3328000 
1 1 1 6  3  30 o 6.1130  0.1809 -0.7137000     0.3618000 
1 1 1 6  3  31 o 12.120  0.1256 -0.9572000E-01 0.2513000 
1 1 1 6  3  32 o 32.090  0.1476 0.2207000      0.2952000 
1 1 1 6  3  33 o 11.040  0.1383 -0.3958000     0.2766000 
1 1 1 6  3  34 o 21.070  0.1229 -0.2066000     0.2457000 
1 1 1 6  3  35 o 17.690  0.1241 -0.1790000     0.2482000 
1 1 1 6  3  36 o 25.050  0.1290 -0.5025000E-01 0.2579000 
1 1 1 6  3  37 o 17.140  0.1252 -0.1062000     0.2503000 
1 1 1 6  3  38 o 16.520  0.1443 -0.1830000E-01 0.2887000 
1 1 1 6  3  39 o 18.020  0.1194 0.2273000      0.2388000 
1 1 1 6  3  40 f 5.4990  0.2567 -0.3115000     0.5133000 
1 1 1 6  3  41 o 22.040  0.1228 0.1601000      0.2455000 
1 1 1 6  3  42 o 10.190  0.1577 0.3235000      0.3155000 
1 1 1 6  3  43 o 9.1200  0.1755 0.2029000      0.3509000 
1 1 1 6  3  44 o 11.180  0.1548 0.1651000      0.3095000 
1 1 1 6  3  45 o 5.6890  0.2758 -0.3231000     0.5517000 
1 1 1 6  3  46 o 11.280  0.1669 0.3467000      0.3338000 
1 1 1 6  3  47 o 14.680  0.1483 0.4530000E-02  0.2966000 
1 1 1 6  3  48 o 13.870  0.1527 -0.3989000E-01 0.3053000 
1 1 1 6  3  49 o 8.5890  0.2099 -0.2549000     0.4197000 
1 1 1 6  3  50 o 5.8930  0.2952 -1.242000      0.5904000 
1 1 1 6  3  51 o 12.320  0.1584 0.6779000      0.3169000 
1 1 1 6  3  52 o 19.100  0.1323 0.6849000E-01  0.2646000 
1 1 1 6  3  53 o 11.770  0.1681 0.6199000E-01  0.3362000 
1 1 1 6  3  54 o 2.3270  0.5437 -0.9679000     1.087000  
1 1 1 6  3  55 o 7.1460  0.2495 -0.9691000     0.4990000 
1 1 1 6  3  56 o 6.3230  0.2968 0.1272000      0.5935000 
1 1 1 6  3  57 o 7.9100  0.2240 -0.5324000     0.4479000 
1 1 1 6  3  58 o 5.9900  0.2710 0.1021000      0.5420000 
1 1 1 6  3  59 o 4.1570  0.3862 -0.5192000     0.7724000 
1 1 1 6  3  60 o 5.6690  0.2820 -0.2387000     0.5639000 
1 1 1 6  3  61 o 3.5210  0.4589 0.7226000      0.9177000 
1 1 1 6  3  62 o 2.9480  0.4994 -0.4321000     0.9988000 
1 1 1 6  3  63 o 3.7780  0.4689 2.162000       0.9378000 
1 1 1 6  3  64 o 5.6640  0.3192 -0.2486000     0.6383000 
1 1 1 6  3  65 o 9.7010  0.1793 -0.8763000E-01 0.3586000 
1 1 1 6  3  66 o 8.5940  0.2041 0.5976000      0.4082000 
1 1 1 6  3  67 o 2.9540  0.4994 -1.815000      0.9989000 
1 1 1 6  3  68 f 8.0260  0.2303 -0.9282000E-01 0.4605000 
1 1 1 6  3  69 o 11.330  0.1831 -0.9550000E-01 0.3662000 
1 1 1 6  3  70 o 4.4760  0.4116 -0.2250000     0.8231000 
1 1 1 6  3  71 o 7.0070  0.2693 -0.5969000     0.5385000 
1 1 1 6  3  72 o 1.7650  0.5458 0.4505000      1.092000  
1 1 1 6  3  73 o 5.4450  0.3900 1.124000       0.7799000 
1 1 1 6  4  0  o 9.2730  0.1156 0.000000       0.000000  
1 1 1 6  4  1  f 1.4960  0.2976 0.2942000      0.5951000 
1 1 1 6  4  2  o 8.4630  0.0823 0.1649000      0.1645000 
1 1 1 6  4  3  o 4.0880  0.1219 -0.3065000     0.2438000 
1 1 1 6  4  4  o 10.760  0.0829 -0.5942000E-01 0.1658000 
1 1 1 6  4  5  o 24.840  0.1175 -0.3023000     0.2349000 
1 1 1 6  4  6  o 9.2000  0.1042 -0.1207000     0.2084000 
1 1 1 6  4  7  o 8.7110  0.1444 -0.4583000     0.2887000 
1 1 1 6  4  8  o 50.720  0.3262 0.3464000      0.6524000 
1 1 1 6  4  9  f 10.680  0.0918 0.1274000      0.1837000 
1 1 1 6  4  10 o 10.820  0.1089 -0.2437000E-01 0.2178000 
1 1 1 6  4  11 o 27.740  0.1238 -0.2804000E-01 0.2476000 
1 1 1 6  4  12 o 26.520  0.1119 0.1390000      0.2238000 
1 1 1 6  4  13 o 16.970  0.1167 0.9690000E-01  0.2334000 
1 1 1 6  4  14 o 12.110  0.1188 0.9412000E-01  0.2376000 
1 1 1 6  4  15 o 18.500  0.1227 -0.3621000E-01 0.2455000 
1 1 1 6  4  16 o 11.220  0.0976 -0.9095000E-01 0.1952000 
1 1 1 6  4  17 o 10.350  0.0723 -0.9645000E-01 0.1447000 
1 1 1 6  4  18 o 15.560  0.0779 0.2966000E-01  0.1558000 
1 1 1 6  4  19 o 6.0250  0.1023 -0.6801000E-01 0.2046000 
1 1 1 6  4  20 o 19.830  0.0977 0.2573000      0.1954000 
1 1 1 6  4  21 o 11.950  0.0856 -0.9837000E-01 0.1712000 
1 1 1 6  4  22 o 1.2990  0.3565 -0.8359000E-01 0.7131000 
1 1 1 6  4  23 o 2.6980  0.2793 0.9538000      0.5587000 
1 1 1 6  4  24 o 12.620  0.0892 -0.3553000E-01 0.1784000 
1 1 1 6  4  25 o 12.040  0.0921 -0.1350000     0.1843000 
1 1 1 6  4  26 o 5.1640  0.1595 0.2580000      0.3190000 
1 1 1 6  4  27 o 12.110  0.1015 -0.1399000     0.2029000 
1 1 1 6  4  28 o 15.620  0.0951 -0.1144000E-01 0.1901000 
1 1 1 6  4  29 o 6.8360  0.1349 0.1085000      0.2698000 
1 1 1 6  4  30 o 6.4200  0.1588 0.1305000      0.3176000 
1 1 1 6  4  31 o 26.290  0.1204 0.1812000E-01  0.2408000 
1 1 1 6  4  32 o 22.160  0.1101 0.1977000      0.2202000 
1 1 1 6  4  33 o 13.580  0.1312 0.1315000      0.2623000 
1 1 1 6  4  34 o 5.9010  0.2338 0.1972000      0.4676000 
1 1 1 6  4  35 o 23.120  0.1379 0.1420000      0.2757000 
1 1 1 6  4  36 o 1.9150  0.5130 -0.4129000     1.026000  
1 1 1 6  4  37 o 22.660  0.1196 0.7315000E-02  0.2392000 
1 1 1 6  4  38 o 17.920  0.1271 0.3244000E-01  0.2542000 
1 1 1 6  4  39 o 21.300  0.1378 0.7204000E-02  0.2755000 
1 1 1 6  4  40 o 18.780  0.1312 0.1263000      0.2623000 
1 1 1 6  4  41 o 7.0060  0.2363 -0.2609000     0.4726000 
1 1 1 6  4  42 o 19.940  0.1356 0.2618000      0.2711000 
1 1 1 6  4  43 o 28.710  0.1484 -0.1587000     0.2969000 
1 1 1 6  4  44 o 9.3250  0.2020 0.4313000      0.4040000 
1 1 1 6  4  45 o 13.510  0.1621 0.2016000      0.3242000 
1 1 1 6  4  46 o 15.160  0.1475 -0.2250000     0.2951000 
1 1 1 6  4  47 o 11.450  0.1728 0.1995000      0.3455000 
1 1 1 6  4  48 o 20.360  0.1409 -0.3147000     0.2818000 
1 1 1 6  4  49 o 11.450  0.1713 -0.3017000     0.3425000 
1 1 1 6  4  50 o 15.170  0.1480 -0.9913000E-01 0.2961000 
1 1 1 6  4  51 o 19.240  0.1388 -0.4607000     0.2775000 
1 1 1 6  4  52 o 4.0440  0.4792 0.6509000      0.9584000 
1 1 1 6  4  53 o 15.690  0.1532 -0.3628000     0.3064000 
1 1 1 6  4  54 o 3.8850  0.4417 1.934000       0.8833000 
1 1 1 6  4  55 f 7.8510  0.2311 0.2435000      0.4623000 
1 1 1 6  4  56 o 4.9090  0.3138 0.9688000      0.6276000 
1 1 1 6  4  57 o 6.2740  0.2717 -0.6469000     0.5434000 
1 1 1 6  4  58 o 7.9610  0.2357 0.1064000      0.4713000 
1 1 1 6  4  59 o 13.950  0.1582 -0.4200000     0.3164000 
1 1 1 6  4  60 o 4.1090  0.4005 -0.6086000     0.8010000 
1 1 1 6  4  61 o 18.040  0.1374 -0.1927000     0.2748000 
1 1 1 6  4  62 o 6.3740  0.2893 -0.3378000     0.5786000 
1 1 1 6  4  63 o 10.130  0.1754 -0.2965000     0.3507000 
1 1 1 6  4  64 o 10.480  0.1820 0.1122000E-01  0.3639000 
1 1 1 6  4  65 o 7.1850  0.2454 -0.2350000     0.4908000 
1 1 1 6  4  66 o 9.4780  0.1891 0.2809000      0.3782000 
1 1 1 6  4  67 o 2.5210  0.5690 -0.4926000     1.138000  
1 1 1 6  4  68 o 4.1610  0.4636 -2.027000      0.9273000 
1 1 1 6  4  69 o 1.7230  0.5232 -0.4404000     1.046000  
1 1 1 6  4  70 o 2.3310  0.5431 -1.362000      1.086000  
1 1 1 6  4  71 o 6.0710  0.3202 0.5586000      0.6404000 
1 1 1 6  4  72 o 4.1960  0.5132 -1.500000      1.026000  
1 1 1 6  5  0  o 52.890  0.2748 0.000000       0.000000  
1 1 1 6  5  1  o 9.0570  0.0762 -0.5846000E-01 0.1523000 
1 1 1 6  5  2  o 28.020  0.1109 -0.2700000E-01 0.2218000 
1 1 1 6  5  3  o 29.950  0.1170 0.7345000E-01  0.2340000 
1 1 1 6  5  4  o 21.070  0.0906 -0.4570000E-02 0.1812000 
1 1 1 6  5  5  o 34.220  0.1250 -0.3103000     0.2500000 
1 1 1 6  5  6  o 14.050  0.1000 0.2376000      0.2000000 
1 1 1 6  5  7  o 22.900  0.1610 ?              ?         
1 1 1 6  5  8  o 42.010  0.1730 0.1398000      0.3459000 
1 1 1 6  5  9  o 29.490  0.1384 0.1688000      0.2768000 
1 1 1 6  5  10 o 31.340  0.1451 0.9785000E-03  0.2902000 
1 1 1 6  5  11 o 5.2680  0.1834 -0.5426000     0.3669000 
1 1 1 6  5  12 o 18.050  0.0923 0.1137000      0.1847000 
1 1 1 6  5  13 o 27.050  0.1146 0.1563000      0.2291000 
1 1 1 6  5  14 o 25.560  0.1205 0.3328000      0.2410000 
1 1 1 6  5  15 o 44.720  0.1768 0.3880000      0.3535000 
1 1 1 6  5  16 o 19.450  0.1104 0.5667000      0.2209000 
1 1 1 6  5  17 o 3.4880  0.2576 0.6330000E-01  0.5152000 
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1 1 1 7  2  1  o 24.010  0.1083 0.5272000E-01  0.2166000 
1 1 1 7  2  2  o 8.0860  0.0917 -0.1293000     0.1833000 
1 1 1 7  2  3  o 19.280  0.1005 -0.7197000E-01 0.2010000 
1 1 1 7  2  4  o 14.990  0.0996 0.1701000E-02  0.1992000 
1 1 1 7  2  5  o 27.460  0.1417 -0.3781000     0.2835000 
1 1 1 7  2  6  o 16.160  0.1136 -0.9083000E-01 0.2272000 
1 1 1 7  2  7  o 13.020  0.1081 -0.6339000E-01 0.2163000 
1 1 1 7  2  8  o 11.920  0.1145 -0.5842000     0.2289000 
1 1 1 7  2  9  o 10.280  0.1093 -0.2302000     0.2186000 
1 1 1 7  2  10 o 21.470  0.1939 0.4073000      0.3878000 
1 1 1 7  2  11 o 16.010  0.1740 0.5181000      0.3479000 
1 1 1 7  2  12 o 7.9980  0.1582 0.2017000      0.3164000 
1 1 1 7  2  13 o 32.340  0.1671 -0.2469000     0.3342000 
1 1 1 7  2  14 f 15.490  0.0942 0.7726000E-01  0.1884000 
1 1 1 7  2  15 o 7.0680  0.1305 -0.5793000E-01 0.2610000 
1 1 1 7  2  16 o 12.060  0.0947 -0.2137000     0.1895000 
1 1 1 7  2  17 o 6.5900  0.1047 -0.1462000     0.2094000 
1 1 1 7  2  18 o 15.710  0.0931 0.2266000      0.1862000 
1 1 1 7  2  19 o 19.010  0.1006 0.2183000      0.2011000 
1 1 1 7  2  20 o 5.9230  0.1310 0.7745000E-01  0.2621000 
1 1 1 7  2  21 o 7.2620  0.1191 0.5021000E-01  0.2381000 
1 1 1 7  2  22 o 15.590  0.0993 0.1859000      0.1986000 
1 1 1 7  2  23 f 16.310  0.1018 -0.2718000     0.2036000 
1 1 1 7  2  24 f 1.9560  0.3556 -0.8830000     0.7113000 
1 1 1 7  2  25 o 19.650  0.1026 0.9631000E-01  0.2051000 
1 1 1 7  2  26 o 20.580  0.1052 0.8883000E-01  0.2104000 
1 1 1 7  2  27 o 5.5490  0.1703 0.4437000E-01  0.3406000 
1 1 1 7  2  28 o 4.7070  0.1942 0.1181000      0.3884000 
1 1 1 7  2  29 o 15.630  0.1004 0.1618000      0.2007000 
1 1 1 7  2  30 o 4.0830  0.2508 0.2338000      0.5015000 
1 1 1 7  2  31 o 17.930  0.1239 -0.7284000E-01 0.2478000 
1 1 1 7  2  32 o 10.730  0.1452 -0.3157000     0.2903000 
1 1 1 7  2  33 o 9.3910  0.1593 -0.2568000     0.3185000 
1 1 1 7  2  34 o 34.920  0.1825 0.2915000      0.3650000 
1 1 1 7  2  35 o 18.200  0.1368 0.4182000      0.2737000 
1 1 1 7  2  36 o 21.810  0.1302 0.7060000E-01  0.2603000 
1 1 1 7  2  37 o 20.400  0.1797 -0.2845000     0.3593000 
1 1 1 7  2  38 o 24.640  0.1334 -0.6729000E-01 0.2667000 
1 1 1 7  2  39 o 26.620  0.1424 0.6449000E-01  0.2848000 
1 1 1 7  2  40 o 15.550  0.1305 0.2208000      0.2610000 
1 1 1 7  2  41 o 10.280  0.1655 -0.2423000     0.3310000 
1 1 1 7  2  42 o 7.2590  0.2040 0.9708000E-01  0.4081000 
1 1 1 7  2  43 o 21.830  0.1209 0.3425000      0.2417000 
1 1 1 7  2  44 o 23.910  0.1234 0.6271000E-01  0.2469000 
1 1 1 7  2  45 o 6.2180  0.2520 -0.5644000     0.5041000 
1 1 1 7  2  46 o 14.350  0.1374 0.1172000      0.2749000 
1 1 1 7  2  47 o 13.260  0.1402 0.5301000E-01  0.2804000 
1 1 1 7  2  48 o 24.820  0.1298 0.3913000      0.2597000 
1 1 1 7  2  49 o 6.9160  0.2473 -0.9776000E-01 0.4945000 
1 1 1 7  2  50 o 20.340  0.1317 0.1371000      0.2635000 
1 1 1 7  2  51 o 6.8980  0.2505 0.1701000      0.5010000 
1 1 1 7  2  52 o 16.600  0.1500 -0.1215000     0.3000000 
1 1 1 7  2  53 o 9.3430  0.2122 -0.2357000     0.4245000 
1 1 1 7  2  54 o 10.150  0.1874 -0.2101000     0.3749000 
1 1 1 7  2  55 o 15.980  0.1454 -0.2017000     0.2909000 
1 1 1 7  2  56 o 7.8140  0.2309 -0.6698000E-01 0.4618000 
1 1 1 7  2  57 o 11.670  0.1839 0.2329000E-01  0.3677000 
1 1 1 7  2  58 o 6.6500  0.2383 0.5312000      0.4766000 
1 1 1 7  2  59 o 8.4930  0.1907 0.6102000      0.3815000 
1 1 1 7  2  60 o 7.8500  0.2101 -0.4815000     0.4201000 
1 1 1 7  2  61 o 6.0570  0.2509 -0.3730000     0.5019000 
1 1 1 7  2  62 o 2.7460  0.4993 1.287000       0.9985000 
1 1 1 7  2  63 o 10.820  0.1749 -0.2901000     0.3497000 
1 1 1 7  2  64 o 4.0380  0.4217 1.357000       0.8433000 
1 1 1 7  2  65 o 4.5410  0.3394 0.5664000      0.6788000 
1 1 1 7  2  66 o 4.4480  0.3452 0.2656000      0.6904000 
1 1 1 7  2  67 o 1.7610  0.5146 -0.4920000     1.029000  
1 1 1 7  2  68 o 6.7600  0.2617 -0.2201000     0.5234000 
1 1 1 7  2  69 o 4.2820  0.4305 -0.8713000     0.8610000 
1 1 1 7  2  70 o 4.8320  0.3536 0.6812000      0.7072000 
1 1 1 7  2  71 o 9.0200  0.2228 0.2500000      0.4455000 
1 1 1 7  2  72 o 4.8580  0.4103 -0.5238000     0.8206000 
1 1 1 7  3  0  o 5.8500  0.1740 0.000000       0.000000  
1 1 1 7  3  1  o 19.380  0.1109 0.8623000E-01  0.2219000 
1 1 1 7  3  2  o 6.9630  0.1063 0.1552000      0.2126000 
1 1 1 7  3  3  o 12.740  0.0955 -0.1884000     0.1910000 
1 1 1 7  3  4  o 13.930  0.0976 -0.2252000     0.1951000 
1 1 1 7  3  5  o 38.110  0.1862 0.3127000      0.3724000 
1 1 1 7  3  6  o 19.450  0.1234 0.1620000      0.2468000 
1 1 1 7  3  7  o 39.370  0.1928 0.1410000      0.3856000 
1 1 1 7  3  8  o 14.480  0.0926 -0.1696000     0.1852000 
1 1 1 7  3  9  o 23.480  0.1393 -0.4807000     0.2787000 
1 1 1 7  3  10 o 3.8030  0.2899 0.4880000      0.5797000 
1 1 1 7  3  11 o 36.500  0.1821 0.1343000      0.3641000 
1 1 1 7  3  12 o 8.7030  0.1611 -0.4849000E-01 0.3221000 
1 1 1 7  3  13 o 36.750  0.1860 0.6379000E-01  0.3721000 
1 1 1 7  3  14 o 19.700  0.1125 -0.1638000     0.2250000 
1 1 1 7  3  15 o 18.590  0.1009 0.1645000      0.2019000 
1 1 1 7  3  16 o 24.880  0.1168 0.1605000      0.2337000 
1 1 1 7  3  17 o 4.9240  0.1495 -0.3445000     0.2991000 
1 1 1 7  3  18 f 6.4530  0.1066 0.1179000      0.2131000 
1 1 1 7  3  19 o 13.320  0.0876 -0.8761000E-01 0.1752000 
1 1 1 7  3  20 o 21.750  0.1040 0.6766000E-01  0.2079000 
1 1 1 7  3  21 f 13.360  0.0900 -0.3179000     0.1800000 
1 1 1 7  3  22 o 17.100  0.0947 -0.2540000E-01 0.1894000 
1 1 1 7  3  23 o 12.940  0.0942 -0.1078000     0.1885000 
1 1 1 7  3  24 f 8.9160  0.1086 -0.2810000     0.2173000 
1 1 1 7  3  25 f 14.430  0.0931 -0.1669000     0.1862000 
1 1 1 7  3  26 o 12.820  0.0960 0.5468000E-01  0.1920000 
1 1 1 7  3  27 o 18.840  0.0983 -0.1227000E-01 0.1965000 
1 1 1 7  3  28 o 3.4760  0.2579 0.4596000      0.5159000 
1 1 1 7  3  29 o 12.080  0.1104 0.2237000      0.2208000 
1 1 1 7  3  30 o 10.780  0.1336 0.3657000      0.2671000 
1 1 1 7  3  31 o 23.050  0.1207 -0.3075000E-01 0.2413000 
1 1 1 7  3  32 o 26.620  0.1276 0.2855000E-01  0.2552000 
1 1 1 7  3  33 o 8.4990  0.1506 -0.5335000     0.3013000 
1 1 1 7  3  34 o 15.970  0.1182 -0.4759000     0.2363000 
1 1 1 7  3  35 o 10.100  0.1786 0.7603000      0.3572000 
1 1 1 7  3  36 o 23.590  0.1418 0.2759000      0.2837000 
1 1 1 7  3  37 o 15.860  0.1238 0.1338000      0.2477000 
1 1 1 7  3  38 o 22.700  0.1300 0.1380000      0.2600000 
1 1 1 7  3  39 o 10.840  0.1697 0.1656000      0.3394000 
1 1 1 7  3  40 o 15.530  0.1479 0.4088000      0.2959000 
1 1 1 7  3  41 o 26.930  0.1231 0.2507000      0.2462000 
1 1 1 7  3  42 o 9.4880  0.1668 0.7982000E-01  0.3337000 
1 1 1 7  3  43 o 19.650  0.1216 0.1523000      0.2431000 
1 1 1 7  3  44 o 12.440  0.1529 -0.6696000E-01 0.3059000 
1 1 1 7  3  45 o 6.8570  0.2301 0.7641000E-01  0.4602000 
1 1 1 7  3  46 o 11.730  0.1633 0.6267000      0.3265000 
1 1 1 7  3  47 o 12.500  0.1592 -0.2500000     0.3185000 
1 1 1 7  3  48 o 10.340  0.1838 -0.9724000E-01 0.3676000 
1 1 1 7  3  49 o 23.030  0.1354 -0.5856000     0.2708000 
1 1 1 7  3  50 o 6.1570  0.2852 0.6049000      0.5705000 
1 1 1 7  3  51 o 15.240  0.1536 0.1977000      0.3073000 
1 1 1 7  3  52 o 11.690  0.1714 0.8322000      0.3428000 
1 1 1 7  3  53 o 9.6860  0.1945 0.2937000      0.3889000 
1 1 1 7  3  54 o 6.7560  0.2477 0.8202000      0.4955000 
1 1 1 7  3  55 o 9.4970  0.1928 0.2314000      0.3856000 
1 1 1 7  3  56 o 6.9460  0.2874 0.2904000      0.5749000 
1 1 1 7  3  57 o 5.7130  0.3327 -0.4674000     0.6653000 
1 1 1 7  3  58 o 10.680  0.1913 0.3034000      0.3825000 
1 1 1 7  3  59 o 2.7560  0.5415 -1.605000      1.083000  
1 1 1 7  3  60 o 9.6810  0.1753 -0.1723000     0.3506000 
1 1 1 7  3  61 o 13.750  0.1484 0.2450000E-01  0.2968000 
1 1 1 7  3  62 o 2.1620  0.5586 0.4539000      1.117000  
1 1 1 7  3  63 o 6.9370  0.2609 -1.241000      0.5218000 
1 1 1 7  3  64 o 6.2230  0.2536 -0.2801000E-01 0.5073000 
1 1 1 7  3  65 o 3.7750  0.4347 -1.665000      0.8693000 
1 1 1 7  3  66 o 2.6320  0.5545 -0.2511000     1.109000  
1 1 1 7  3  67 o 9.1460  0.2021 0.4033000      0.4042000 
1 1 1 7  3  68 o 11.350  0.1901 0.2050000      0.3802000 
1 1 1 7  3  69 o 2.0180  0.5504 0.4694000      1.101000  
1 1 1 7  3  70 o 7.2540  0.2680 -0.3033000E-01 0.5360000 
1 1 1 7  3  71 o 6.4220  0.3051 -0.9408000     0.6103000 
1 1 1 7  3  72 o 2.2420  0.6018 -0.7077000     1.204000  
1 1 1 7  4  0  o 7.2760  0.1592 0.000000       0.000000  
1 1 1 7  4  1  o 38.910  0.2068 -0.1915000     0.4135000 
1 1 1 7  4  2  o 31.210  0.1706 -0.1075000     0.3413000 
1 1 1 7  4  3  o 24.990  0.1322 -0.3129000     0.2645000 
1 1 1 7  4  4  o 13.260  0.0979 -0.1408000E-01 0.1958000 
1 1 1 7  4  5  o 13.280  0.1277 ?              ?         
1 1 1 7  4  6  o 11.730  0.0990 -0.1076000     0.1979000 
1 1 1 7  4  7  o 7.6450  0.1050 0.2368000      0.2100000 
1 1 1 7  4  8  o 15.240  0.1192 0.1994000      0.2383000 
1 1 1 7  4  9  f 9.2990  0.1068 1.053000       0.2136000 
1 1 1 7  4  10 o 40.630  0.1888 -0.3432000     0.3776000 
1 1 1 7  4  11 o 6.3580  0.1295 -0.3061000     0.2591000 
1 1 1 7  4  12 o 16.630  0.1156 -0.4660000E-01 0.2313000 
1 1 1 7  4  13 o 6.4870  0.1234 -0.3747000     0.2468000 
1 1 1 7  4  14 o 20.260  0.1233 -0.1572000     0.2466000 
1 1 1 7  4  15 o 25.270  0.1179 0.1770000      0.2358000 
1 1 1 7  4  16 o 9.3920  0.0955 0.2355000      0.1909000 
1 1 1 7  4  17 o 13.860  0.0916 -0.5935000E-01 0.1832000 
1 1 1 7  4  18 o 17.900  0.1054 -0.1558000     0.2107000 
1 1 1 7  4  19 o 14.020  0.0851 -0.1201000E-01 0.1702000 
1 1 1 7  4  20 o 10.530  0.0918 -0.1865000     0.1835000 
1 1 1 7  4  21 o 11.390  0.0864 0.5348000      0.1727000 
1 1 1 7  4  22 o 17.270  0.0946 0.8898000E-01  0.1892000 
1 1 1 7  4  23 o 10.250  0.0948 0.5737000E-01  0.1896000 
1 1 1 7  4  24 o 14.150  0.0914 0.6138000E-01  0.1828000 
1 1 1 7  4  25 o 5.9170  0.1405 0.3348000      0.2809000 
1 1 1 7  4  26 o 13.930  0.0956 -0.4603000E-01 0.1912000 
1 1 1 7  4  27 o 7.8330  0.1240 0.3607000E-02  0.2479000 
1 1 1 7  4  28 o 7.3950  0.1457 -0.8320000     0.2915000 
1 1 1 7  4  29 o 2.7350  0.3949 0.3665000      0.7898000 
1 1 1 7  4  30 o 10.350  0.1364 -0.1271000     0.2729000 
1 1 1 7  4  31 o 18.860  0.1101 0.1184000      0.2202000 
1 1 1 7  4  32 o 5.5240  0.2034 0.3753000      0.4068000 
1 1 1 7  4  33 o 26.080  0.1240 -0.1324000     0.2479000 
1 1 1 7  4  34 o 20.930  0.1139 -0.1969000     0.2279000 
1 1 1 7  4  35 o 22.150  0.1354 -0.4265000     0.2708000 
1 1 1 7  4  36 o 20.890  0.1416 0.3441000      0.2832000 
1 1 1 7  4  37 o 36.330  0.1633 0.1072000      0.3266000 
1 1 1 7  4  38 o 5.5330  0.2734 -0.3892000E-01 0.5467000 
1 1 1 7  4  39 o 16.660  0.1310 0.5496000      0.2621000 
1 1 1 7  4  40 o 19.750  0.1447 0.2119000      0.2895000 
1 1 1 7  4  41 o 18.900  0.1322 0.5646000E-01  0.2643000 
1 1 1 7  4  42 o 23.310  0.1328 0.3655000      0.2657000 
1 1 1 7  4  43 o 33.520  0.1455 -0.1289000     0.2910000 
1 1 1 7  4  44 o 28.720  0.1502 0.1136000      0.3004000 
1 1 1 7  4  45 o 8.6360  0.2873 -0.6859000     0.5746000 
1 1 1 7  4  46 o 20.590  0.1333 0.5033000      0.2667000 
1 1 1 7  4  47 o 5.8120  0.3017 -0.3873000     0.6034000 
1 1 1 7  4  48 o 12.810  0.1646 -0.2761000     0.3293000 
1 1 1 7  4  49 o 11.950  0.1673 0.4726000E-01  0.3345000 
1 1 1 7  4  50 o 4.9520  0.3652 0.5456000E-01  0.7304000 
1 1 1 7  4  51 o 6.4580  0.3030 0.4411000      0.6059000 
1 1 1 7  4  52 o 20.980  0.1473 -0.3411000     0.2947000 
1 1 1 7  4  53 o 9.8360  0.1941 0.1973000      0.3882000 
1 1 1 7  4  54 o 11.470  0.1876 0.7740000E-01  0.3753000 
1 1 1 7  4  55 o 5.6960  0.2805 -0.4652000     0.5610000 
1 1 1 7  4  56 o 3.7580  0.4190 0.1846000      0.8380000 
1 1 1 7  4  57 o 3.3140  0.4938 0.7301000      0.9876000 
1 1 1 7  4  58 o 4.2000  0.4580 1.667000       0.9160000 
1 1 1 7  4  59 o 5.0960  0.3868 0.8203000      0.7736000 
1 1 1 7  4  60 o 11.490  0.1819 -0.9890000E-01 0.3638000 
1 1 1 7  4  61 o 7.9740  0.2407 0.2410000      0.4814000 
1 1 1 7  4  62 o 8.4330  0.2014 0.2863000      0.4028000 
1 1 1 7  4  63 o 9.5180  0.1907 -0.7313000     0.3813000 
1 1 1 7  4  64 o 9.5390  0.1909 0.2940000      0.3818000 
1 1 1 7  4  65 o 5.3300  0.3048 0.2286000      0.6097000 
1 1 1 7  4  66 o 4.1880  0.3765 0.6815000E-01  0.7530000 
1 1 1 7  4  68 o 2.8850  0.5575 -0.4752000     1.115000  
1 1 1 7  4  69 o 8.9340  0.2148 0.9208000E-01  0.4295000 
1 1 1 7  4  70 o 8.8670  0.2167 -0.4182000     0.4334000 
1 1 1 7  4  71 f 6.3580  0.3325 -1.067000      0.6649000 
1 1 1 7  4  72 o 5.3850  0.4370 0.4002000      0.8741000 
1 1 1 7  5  0  o 2.9480  0.2887 0.000000       0.000000  
1 1 1 7  5  1  o 14.200  0.0901 0.1885000E-01  0.1802000 
1 1 1 7  5  2  o 4.2400  0.1464 -0.3348000     0.2928000 
1 1 1 7  5  3  o 16.850  0.0948 -0.1679000     0.1897000 
1 1 1 7  5  4  o 30.390  0.1672 -0.3546000     0.3345000 
1 1 1 7  5  5  o 43.140  0.2085 -0.1366000     0.4171000 
1 1 1 7  5  6  o 19.520  0.1075 0.2915000      0.2150000 
1 1 1 7  5  7  o 26.420  0.1391 -0.1284000     0.2782000 
1 1 1 7  5  8  o 15.290  0.1029 -0.1619000     0.2059000 
1 1 1 7  5  9  o 13.720  0.1070 -0.5743000     0.2140000 
1 1 1 7  5  10 o 25.860  0.1233 -0.6600000E-01 0.2466000 
1 1 1 7  5  11 o 15.290  0.1030 -0.3469000     0.2060000 
1 1 1 7  5  12 o 19.820  0.1179 0.8931000E-01  0.2358000 
1 1 1 7  5  13 o 18.160  0.1006 -0.2789000     0.2012000 
1 1 1 7  5  14 o 12.370  0.0991 -0.1098000     0.1981000 
1 1 1 7  5  15 o 20.820  0.1071 0.3475000      0.2143000 
1 1 1 7  5  16 o 6.4070  0.1369 -0.2047000     0.2738000 
1 1 1 7  5  17 o 2.5250  0.3504 0.2862000      0.7008000 
1 1 1 7  5  18 o 11.120  0.1092 -0.6320000E-01 0.2185000 
1 1 1 7  5  19 o 6.3400  0.1560 0.7882000E-01  0.3120000 
1 1 1 7  5  20 o 2.7450  0.3003 -0.7868000     0.6007000 
1 1 1 7  5  21 o 10.260  0.1038 0.1844000      0.2076000 
1 1 1 7  5  22 o 12.230  0.1129 -0.9964000E-01 0.2259000 
1 1 1 7  5  23 o 18.490  0.1044 -0.2846000E-01 0.2089000 
1 1 1 7  5  24 o 8.3170  0.1228 0.2739000      0.2457000 
1 1 1 7  5  25 o 9.4470  0.1177 0.3080000      0.2354000 
1 1 1 7  5  26 o 13.810  0.1059 -0.3710000E-02 0.2117000 
1 1 1 7  5  27 o 8.5920  0.1543 0.2520000E-01  0.3085000 
1 1 1 7  5  28 o 5.4450  0.2185 0.2879000      0.4369000 
1 1 1 7  5  29 o 16.910  0.1213 0.3327000E-01  0.2425000 
1 1 1 7  5  30 o 18.890  0.1081 -0.5490000E-01 0.2162000 
1 1 1 7  5  31 o 8.8210  0.1400 0.2949000      0.2800000 
1 1 1 7  5  32 o 7.1030  0.1541 -0.2255000     0.3082000 
1 1 1 7  5  33 o 14.840  0.1076 0.2548000      0.2152000 
1 1 1 7  5  34 o 9.8470  0.1323 -0.4220000     0.2647000 
1 1 1 7  5  35 o 8.4160  0.1586 -0.1564000     0.3173000 
1 1 1 7  5  36 o 24.400  0.1422 -0.3185000     0.2844000 
1 1 1 7  5  37 o 15.160  0.1472 -0.1996000     0.2944000 
1 1 1 7  5  38 o 18.570  0.1495 0.8260000      0.2990000 
1 1 1 7  5  39 o 7.9260  0.2234 0.3017000      0.4468000 
1 1 1 7  5  40 o 21.800  0.1330 0.1821000      0.2659000 
1 1 1 7  5  41 o 17.900  0.1294 0.2497000      0.2588000 
1 1 1 7  5  42 o 17.320  0.1619 0.1643000      0.3238000 
1 1 1 7  5  43 o 24.060  0.1468 0.4902000      0.2936000 
1 1 1 7  5  44 o 14.340  0.1434 0.2287000      0.2869000 
1 1 1 7  5  45 f 5.0990  0.3338 0.6440000      0.6676000 
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1 1 1 8  1  28 o 3.4430  0.2776 0.2679000      0.5552000 
1 1 1 8  1  29 o 8.4200  0.1446 0.1532000E-01  0.2891000 
1 1 1 8  1  30 o 12.630  0.1301 -0.8836000     0.2603000 
1 1 1 8  1  31 o 2.8640  0.5118 -0.1591000     1.024000  
1 1 1 8  1  32 o 15.140  0.1484 0.2551000      0.2969000 
1 1 1 8  1  33 o 21.110  0.1368 -0.2321000     0.2736000 
1 1 1 8  1  34 o 29.670  0.1834 0.1522000      0.3668000 
1 1 1 8  1  35 o 7.7500  0.2047 0.1978000      0.4094000 
1 1 1 8  1  36 o 22.070  0.1440 0.1486000E-01  0.2879000 
1 1 1 8  1  37 o 4.4640  0.3686 -0.8896000     0.7371000 
1 1 1 8  1  38 o 1.5320  0.4547 -0.7425000     0.9094000 
1 1 1 8  1  39 o 17.640  0.1358 0.2124000      0.2717000 
1 1 1 8  1  40 o 25.010  0.1274 0.1322000      0.2548000 
1 1 1 8  1  41 f 9.2240  0.1805 -0.2763000     0.3609000 
1 1 1 8  1  42 o 4.8660  0.3232 0.5456000      0.6464000 
1 1 1 8  1  43 o 15.000  0.1402 -0.4950000     0.2803000 
1 1 1 8  1  44 o 19.290  0.1322 0.4746000      0.2645000 
1 1 1 8  1  45 o 11.600  0.1569 -0.1610000E-01 0.3137000 
1 1 1 8  1  46 o 6.8330  0.2413 -0.2999000E-01 0.4825000 
1 1 1 8  1  47 o 9.5600  0.1861 -0.3149000     0.3722000 
1 1 1 8  1  48 o 8.2600  0.2126 0.8350000      0.4253000 
1 1 1 8  1  49 o 16.920  0.1371 0.4519000      0.2742000 
1 1 1 8  1  50 o 8.9630  0.1900 0.4085000      0.3800000 
1 1 1 8  1  51 o 6.0710  0.2967 0.3034000      0.5934000 
1 1 1 8  1  52 o 13.220  0.1782 -0.6937000E-01 0.3564000 
1 1 1 8  1  53 o 11.270  0.2426 0.3883000      0.4852000 
1 1 1 8  1  54 o 10.370  0.2214 -0.7225000     0.4427000 
1 1 1 8  1  55 o 13.020  0.1978 0.1915000      0.3956000 
1 1 1 8  1  56 o 8.1400  0.2662 0.6046000      0.5324000 
1 1 1 8  1  57 o 6.3000  0.2588 -0.1985000     0.5177000 
1 1 1 8  1  58 o 1.8730  0.4925 -0.9891000     0.9850000 
1 1 1 8  1  59 o 7.0470  0.2204 0.1209000      0.4408000 
1 1 1 8  1  60 o 4.8960  0.3043 -1.049000      0.6087000 
1 1 1 8  1  61 o 12.410  0.1438 -0.3871000     0.2875000 
1 1 1 8  1  62 o 4.8830  0.2991 0.4869000      0.5981000 
1 1 1 8  1  63 o 2.0480  0.5220 0.7089000      1.044000  
1 1 1 8  1  64 o 5.7260  0.2964 -0.7296000E-01 0.5927000 
1 1 1 8  1  65 o 2.6300  0.5283 -0.4717000     1.057000  
1 1 1 8  1  66 o 6.7790  0.2357 0.8234000      0.4715000 
1 1 1 8  1  67 o 3.7650  0.4379 0.6263000      0.8758000 
1 1 1 8  1  68 o 3.7550  0.4222 -0.7925000     0.8445000 
1 1 1 8  1  69 o 3.8650  0.4237 1.444000       0.8475000 
1 1 1 8  1  70 o 2.8070  0.5165 1.028000       1.033000  
1 1 1 8  1  71 o 4.4520  0.3986 -1.325000      0.7972000 
1 1 1 8  1  72 o 3.1650  0.5991 -0.3058000E-01 1.198000  
1 1 1 8  2  0  o 5.3860  0.1817 0.000000       0.000000  
1 1 1 8  2  1  o 26.400  0.1259 0.1949000      0.2519000 
1 1 1 8  2  2  o 28.750  0.1340 -0.3856000     0.2681000 
1 1 1 8  2  3  o 8.0360  0.1240 0.6896000E-01  0.2480000 
1 1 1 8  2  4  o 11.990  0.1047 -0.2981000     0.2094000 
1 1 1 8  2  5  o 15.660  0.1099 0.3850000      0.2198000 
1 1 1 8  2  6  o 10.390  0.1043 0.2281000      0.2086000 
1 1 1 8  2  7  o 19.730  0.1289 0.2628000E-01  0.2578000 
1 1 1 8  2  8  o 16.220  0.1518 -0.3344000E-01 0.3037000 
1 1 1 8  2  9  o 4.4180  0.2549 0.1582000      0.5099000 
1 1 1 8  2  10 o 30.960  0.1617 -0.3750000E-02 0.3233000 
1 1 1 8  2  11 o 17.380  0.1313 -0.2971000     0.2626000 
1 1 1 8  2  12 o 5.9430  0.1798 -0.1474000     0.3597000 
1 1 1 8  2  13 o 18.550  0.1239 0.3495000E-01  0.2478000 
1 1 1 8  2  14 o 17.230  0.1233 -0.1008000     0.2466000 
1 1 1 8  2  15 o 36.080  0.1846 -0.1630000     0.3693000 
1 1 1 8  2  16 o 19.120  0.1110 0.4915000      0.2220000 
1 1 1 8  2  17 o 17.160  0.1084 0.1784000      0.2168000 
1 1 1 8  2  18 o 20.330  0.1259 0.6268000E-01  0.2517000 
1 1 1 8  2  19 o 4.6790  0.1824 -0.7032000     0.3647000 
1 1 1 8  2  20 o 9.4230  0.1186 0.4635000      0.2372000 
1 1 1 8  2  21 o 6.7150  0.1330 -0.2544000     0.2660000 
1 1 1 8  2  22 o 8.5110  0.1169 -0.4854000     0.2338000 
1 1 1 8  2  23 o 11.070  0.1073 -0.2083000     0.2146000 
1 1 1 8  2  24 o 18.090  0.0989 0.1311000      0.1978000 
1 1 1 8  2  25 o 19.200  0.1099 0.8892000E-01  0.2197000 
1 1 1 8  2  26 o 17.860  0.1092 -0.1246000     0.2185000 
1 1 1 8  2  27 o 9.6870  0.1227 -0.6212000     0.2455000 
1 1 1 8  2  28 o 3.5600  0.2702 0.1211000      0.5404000 
1 1 1 8  2  29 o 7.4480  0.1547 -0.3293000     0.3094000 
1 1 1 8  2  30 o 10.600  0.1248 -0.4173000E-01 0.2496000 
1 1 1 8  2  31 o 4.7530  0.2245 -0.1186000     0.4490000 
1 1 1 8  2  32 o 19.650  0.1211 0.2578000      0.2423000 
1 1 1 8  2  33 o 38.540  0.1945 0.7493000      0.3890000 
1 1 1 8  2  34 o 4.8760  0.2978 -0.6759000     0.5956000 
1 1 1 8  2  35 o 23.900  0.1356 -0.1900000     0.2712000 
1 1 1 8  2  36 o 6.7200  0.2424 0.5382000      0.4848000 
1 1 1 8  2  37 o 7.5320  0.2113 0.3590000      0.4227000 
1 1 1 8  2  38 o 13.100  0.1705 -0.2064000E-01 0.3409000 
1 1 1 8  2  39 o 18.350  0.1342 -0.4084000E-01 0.2683000 
1 1 1 8  2  40 o 28.810  0.1477 0.4002000      0.2955000 
1 1 1 8  2  41 o 3.2730  0.4820 -0.7136000     0.9640000 
1 1 1 8  2  42 o 11.410  0.1599 0.4447000      0.3199000 
1 1 1 8  2  43 o 21.000  0.1302 -0.3747000     0.2605000 
1 1 1 8  2  44 o 9.8140  0.1846 0.3986000      0.3691000 
1 1 1 8  2  45 o 14.190  0.1475 -0.9220000E-01 0.2950000 
1 1 1 8  2  46 o 7.3660  0.2186 -0.3820000     0.4372000 
1 1 1 8  2  47 o 24.090  0.1266 0.4630000E-01  0.2532000 
1 1 1 8  2  48 o 13.290  0.1479 -0.3495000     0.2959000 
1 1 1 8  2  49 o 12.110  0.1688 0.1251000      0.3375000 
1 1 1 8  2  50 o 3.6090  0.4734 0.4737000      0.9467000 
1 1 1 8  2  51 o 1.6480  0.5217 -0.3083000E-01 1.043000  
1 1 1 8  2  52 o 1.8730  0.5402 -1.114000      1.080000  
1 1 1 8  2  53 o 3.1660  0.5237 0.8985000      1.047000  
1 1 1 8  2  54 o 11.200  0.1946 -0.4172000E-01 0.3893000 
1 1 1 8  2  55 o 10.130  0.2135 0.3626000E-01  0.4269000 
1 1 1 8  2  56 o 8.2340  0.2283 0.3971000      0.4566000 
1 1 1 8  2  57 o 9.2480  0.2312 -0.6532000     0.4624000 
1 1 1 8  2  58 o 8.9430  0.1919 0.3739000E-01  0.3838000 
1 1 1 8  2  59 o 7.5540  0.2069 -0.1851000E-01 0.4138000 
1 1 1 8  2  60 o 4.8900  0.3074 -0.1075000     0.6148000 
1 1 1 8  2  61 o 4.2950  0.3653 -1.083000      0.7306000 
1 1 1 8  2  62 o 3.9420  0.3836 -0.8752000     0.7672000 
1 1 1 8  2  63 o 2.1780  0.5584 -0.1385000     1.117000  
1 1 1 8  2  64 o 5.8430  0.2611 -0.2295000     0.5221000 
1 1 1 8  2  65 o 4.2660  0.3472 -0.5592000     0.6945000 
1 1 1 8  2  66 o 2.2690  0.5576 -0.2394000     1.115000  
1 1 1 8  2  67 o 2.8100  0.5293 -1.083000      1.059000  
1 1 1 8  2  68 o 3.6860  0.4714 -0.1231000     0.9427000 
1 1 1 8  2  69 o 3.4310  0.5063 0.4273000      1.013000  
1 1 1 8  2  70 o 8.1930  0.2309 0.1112000      0.4619000 
1 1 1 8  2  71 o 2.9100  0.5635 1.006000       1.127000  
1 1 1 8  2  72 o 2.2570  0.6092 1.357000       1.218000  
1 1 1 8  3  0  o 16.530  0.1384 0.000000       0.000000  
1 1 1 8  3  1  o 20.120  0.1169 0.3588000      0.2338000 
1 1 1 8  3  2  o 8.7100  0.0992 -0.5713000E-01 0.1983000 
1 1 1 8  3  3  o 7.9960  0.1345 -0.1002000     0.2691000 
1 1 1 8  3  4  o 18.510  0.1382 -0.3386000     0.2764000 
1 1 1 8  3  5  o 25.280  0.1680 -0.4851000E-01 0.3360000 
1 1 1 8  3  6  o 15.090  0.1049 -0.9509000E-01 0.2098000 
1 1 1 8  3  7  o 24.180  0.1443 -0.2277000     0.2886000 
1 1 1 8  3  8  o 22.520  0.1281 -0.1518000     0.2561000 
1 1 1 8  3  9  o 10.420  0.0994 0.4883000      0.1988000 
1 1 1 8  3  10 o 18.070  0.1200 -0.1525000     0.2401000 
1 1 1 8  3  11 o 13.920  0.1248 -0.9487000E-01 0.2496000 
1 1 1 8  3  12 o 8.8830  0.1478 -0.2693000     0.2957000 
1 1 1 8  3  13 o 26.190  0.1478 -0.1084000     0.2955000 
1 1 1 8  3  14 o 12.880  0.1240 0.3513000      0.2480000 
1 1 1 8  3  15 o 2.5910  0.3916 0.9003000      0.7833000 
1 1 1 8  3  16 o 22.920  0.1210 0.2604000      0.2420000 
1 1 1 8  3  17 o 18.270  0.1102 -0.6542000E-01 0.2205000 
1 1 1 8  3  18 o 7.3550  0.1337 -0.4256000     0.2675000 
1 1 1 8  3  19 o 5.8770  0.1794 -0.4534000     0.3588000 
1 1 1 8  3  20 o 12.470  0.1078 0.1046000      0.2156000 
1 1 1 8  3  21 o 1.0570  0.3271 -0.4416000     0.6541000 
1 1 1 8  3  22 o 12.860  0.0946 -0.1506000     0.1892000 
1 1 1 8  3  23 o 17.730  0.0987 0.2305000      0.1973000 
1 1 1 8  3  24 o 10.010  0.1053 0.2515000      0.2105000 
1 1 1 8  3  25 o 13.520  0.0952 0.4751000E-01  0.1904000 
1 1 1 8  3  26 o 12.360  0.0984 -0.2624000     0.1969000 
1 1 1 8  3  27 o 10.040  0.1097 -0.2067000     0.2193000 
1 1 1 8  3  28 o 9.1720  0.1294 -0.6495000E-01 0.2588000 
1 1 1 8  3  29 o 11.220  0.1214 -0.2239000     0.2429000 
1 1 1 8  3  30 o 26.410  0.1168 0.2869000      0.2336000 
1 1 1 8  3  31 o 17.500  0.1170 0.1108000      0.2339000 
1 1 1 8  3  32 o 10.690  0.1358 0.3261000      0.2715000 
1 1 1 8  3  33 o 14.740  0.1268 -0.1860000     0.2536000 
1 1 1 8  3  34 o 5.1500  0.2560 -0.7476000     0.5119000 
1 1 1 8  3  35 o 24.800  0.1220 0.4653000E-01  0.2441000 
1 1 1 8  3  36 o 14.290  0.1462 0.2637000      0.2924000 
1 1 1 8  3  37 o 22.100  0.1386 0.1062000      0.2772000 
1 1 1 8  3  38 o 30.500  0.1350 0.1621000      0.2700000 
1 1 1 8  3  39 o 9.7580  0.1863 -0.5995000     0.3726000 
1 1 1 8  3  40 o 16.230  0.1645 -0.1322000     0.3290000 
1 1 1 8  3  41 o 12.820  0.1579 0.3194000      0.3157000 
1 1 1 8  3  42 o 16.680  0.1381 -0.5861000E-01 0.2762000 
1 1 1 8  3  43 o 39.220  0.1497 0.2495000      0.2993000 
1 1 1 8  3  44 o 18.890  0.1239 0.6887000      0.2478000 
1 1 1 8  3  45 o 27.050  0.1274 0.4162000      0.2548000 
1 1 1 8  3  46 o 8.8370  0.1890 0.6627000      0.3779000 
1 1 1 8  3  47 o 13.340  0.1543 0.5435000      0.3085000 
1 1 1 8  3  48 o 15.820  0.1441 -0.1539000     0.2883000 
1 1 1 8  3  49 o 18.650  0.1319 0.8088000E-01  0.2638000 
1 1 1 8  3  50 o 13.070  0.1759 0.3446000      0.3518000 
1 1 1 8  3  51 o 6.2580  0.3046 -0.3426000     0.6092000 
1 1 1 8  3  52 o 8.6540  0.1997 0.6497000E-01  0.3994000 
1 1 1 8  3  53 f 2.3660  0.5629 -0.3140000     1.126000  
1 1 1 8  3  54 o 9.5070  0.1902 0.1333000      0.3804000 
1 1 1 8  3  55 o 11.030  0.1657 -0.3573000     0.3313000 
1 1 1 8  3  56 o 6.8660  0.2446 -0.5065000E-02 0.4892000 
1 1 1 8  3  57 o 3.6520  0.4796 -0.1734000     0.9593000 
1 1 1 8  3  58 o 4.8420  0.3641 0.7126000      0.7283000 
1 1 1 8  3  59 o 7.0020  0.2685 0.2207000E-01  0.5370000 
1 1 1 8  3  60 o 6.7240  0.2797 0.8149000E-01  0.5594000 
1 1 1 8  3  61 o 3.1330  0.4908 0.7393000      0.9815000 
1 1 1 8  3  62 o 12.130  0.1564 -0.5441000     0.3127000 
1 1 1 8  3  63 o 8.1600  0.2020 0.9321000      0.4040000 
1 1 1 8  3  64 o 8.0690  0.2048 0.3548000      0.4096000 
1 1 1 8  3  65 o 9.4750  0.1804 -0.6517000E-01 0.3609000 
1 1 1 8  3  66 o 7.3300  0.2238 0.2030000      0.4475000 
1 1 1 8  3  67 o 9.4300  0.2115 0.4202000      0.4230000 
1 1 1 8  3  68 o 2.2120  0.5803 0.2303000      1.161000  
1 1 1 8  3  69 o 2.4370  0.5677 0.6503000      1.135000  
1 1 1 8  3  70 o 3.1670  0.5562 0.3117000E-01  1.112000  
1 1 1 8  3  71 o 3.6780  0.5802 -0.7595000E-01 1.160000  
1 1 1 8  3  72 o 3.1650  0.6291 0.1043000      1.258000  
1 1 1 8  4  0  o 18.010  0.1692 -0.000000      0.000000  
1 1 1 8  4  1  o 16.060  0.1144 0.4220000E-01  0.2289000 
1 1 1 8  4  2  o 9.6340  0.1598 ?              ?         
1 1 1 8  4  3  o 26.680  0.1857 0.2933000      0.3714000 
1 1 1 8  4  4  o 23.070  0.1578 0.4268000      0.3157000 
1 1 1 8  4  5  o 27.860  0.1455 -0.2926000     0.2910000 
1 1 1 8  4  6  o 14.820  0.1144 -0.1377000     0.2287000 
1 1 1 8  4  7  o 14.880  0.1072 -0.6519000E-01 0.2145000 
1 1 1 8  4  8  o 35.200  0.1770 -0.4372000     0.3539000 
1 1 1 8  4  9  o 15.790  0.0990 -0.2018000     0.1980000 
1 1 1 8  4  10 o 17.490  0.1201 -0.4118000     0.2403000 
1 1 1 8  4  11 o 26.310  0.1285 0.1411000      0.2569000 
1 1 1 8  4  12 o 31.030  0.1372 0.3885000      0.2744000 
1 1 1 8  4  13 o 9.9520  0.1154 -0.3553000     0.2308000 
1 1 1 8  4  14 o 31.640  0.1399 -0.2241000     0.2798000 
1 1 1 8  4  15 o 21.370  0.1380 -0.2818000E-01 0.2760000 
1 1 1 8  4  16 o 40.150  0.1826 0.3257000E-01  0.3652000 
1 1 1 8  4  17 o 19.080  0.1092 0.1455000      0.2183000 
1 1 1 8  4  18 o 10.810  0.1102 -0.5234000     0.2204000 
1 1 1 8  4  19 o 19.610  0.1176 -0.2547000     0.2353000 
1 1 1 8  4  20 o 7.9830  0.1346 -0.6137000     0.2691000 
1 1 1 8  4  21 o 25.440  0.1076 0.2102000      0.2152000 
1 1 1 8  4  22 f 18.800  0.0934 -0.6690000E-01 0.1867000 
1 1 1 8  4  23 o 11.770  0.0913 0.2440000      0.1826000 
1 1 1 8  4  24 o 5.2810  0.1492 -0.8575000E-01 0.2984000 
1 1 1 8  4  25 o 14.530  0.0939 0.3254000      0.1877000 
1 1 1 8  4  26 o 2.0810  0.3871 -0.1727000     0.7743000 
1 1 1 8  4  27 o 9.3680  0.1223 -0.2287000     0.2447000 
1 1 1 8  4  28 o 1.6350  0.4311 0.4007000      0.8623000 
1 1 1 8  4  29 o 5.8360  0.1714 0.2396000      0.3428000 
1 1 1 8  4  30 o 1.5360  0.4368 0.3849000E-01  0.8736000 
1 1 1 8  4  31 o 2.8740  0.3947 -1.265000      0.7893000 
1 1 1 8  4  32 o 13.190  0.1140 -0.3138000     0.2279000 
1 1 1 8  4  33 f 2.9400  0.4152 -0.6780000     0.8304000 
1 1 1 8  4  34 o 14.390  0.1391 -0.1162000     0.2782000 
1 1 1 8  4  35 o 14.050  0.1232 0.6068000      0.2464000 
1 1 1 8  4  36 o 4.8270  0.2946 0.6479000E-01  0.5891000 
1 1 1 8  4  37 o 12.820  0.1433 0.9374000E-01  0.2866000 
1 1 1 8  4  38 o 13.660  0.1555 0.2552000      0.3109000 
1 1 1 8  4  39 o 13.770  0.1415 -0.3218000     0.2831000 
1 1 1 8  4  40 o 9.3170  0.1631 0.2898000      0.3261000 
1 1 1 8  4  41 o 10.600  0.1715 -0.1117000     0.3429000 
1 1 1 8  4  42 o 16.700  0.1379 -0.1652000     0.2757000 
1 1 1 8  4  43 o 4.3230  0.3591 -0.4275000E-01 0.7181000 
1 1 1 8  4  44 o 12.800  0.1436 -0.1423000E-01 0.2872000 
1 1 1 8  4  45 o 13.470  0.1488 0.3991000      0.2975000 
1 1 1 8  4  46 o 8.6810  0.2013 -0.6220000E-01 0.4026000 
1 1 1 8  4  47 o 20.740  0.1262 -0.5140000E-02 0.2524000 
1 1 1 8  4  48 o 9.8710  0.1946 -0.7217000     0.3891000 
1 1 1 8  4  49 o 12.040  0.1942 0.9521000E-02  0.3884000 
1 1 1 8  4  50 o 3.5720  0.5349 0.8874000      1.070000  
1 1 1 8  4  51 o 8.5310  0.2111 0.9942000E-01  0.4221000 
1 1 1 8  4  52 o 4.9470  0.3534 0.9888000      0.7068000 
1 1 1 8  4  53 o 5.1120  0.3354 0.3437000      0.6708000 
1 1 1 8  4  54 o 6.5850  0.2563 0.2997000      0.5126000 
1 1 1 8  4  55 f 3.1560  0.5124 0.4913000      1.025000  
1 1 1 8  4  56 o 6.8480  0.2452 -0.1399000     0.4904000 
1 1 1 8  4  57 f 4.0570  0.4486 -1.417000      0.8972000 
1 1 1 8  4  58 o 13.010  0.1624 -0.3652000     0.3249000 
1 1 1 8  4  59 o 5.9700  0.3291 0.1500000      0.6582000 
1 1 1 8  4  60 o 8.7870  0.2294 -0.3492000     0.4589000 
1 1 1 8  4  61 o 1.7590  0.5234 0.6157000      1.047000  
1 1 1 8  4  62 o 5.1490  0.3569 0.3676000      0.7139000 
1 1 1 8  4  63 o 3.1400  0.4884 0.6269000      0.9768000 
1 1 1 8  4  64 f 2.8680  0.5211 0.3127000      1.042000  
1 1 1 8  4  65 o 2.0770  0.5184 1.095000       1.037000  
1 1 1 8  4  66 o 6.2410  0.2718 -0.1696000     0.5436000 
1 1 1 8  4  67 o 3.8710  0.4224 0.1867000      0.8449000 
1 1 1 8  4  68 o 6.0560  0.2993 -0.6852000     0.5986000 
1 1 1 8  4  69 o 9.5890  0.2253 0.1428000      0.4507000 
1 1 1 8  4  70 o 5.7320  0.3663 0.9288000      0.7325000 
1 1 1 8  4  71 o 4.7290  0.4463 0.6140000      0.8925000 
1 1 1 8  4  72 o 1.5660  0.5133 -0.1389000     1.027000  
1 1 1 8  5  0  o 2.5280  0.3959 -0.000000      0.000000  
1 1 1 8  5  1  o 21.250  0.1217 0.2511000      0.2434000 
1 1 1 8  5  2  o 27.580  0.1850 ?              ?         
1 1 1 8  5  3  o 17.420  0.1443 -0.2325000     0.2886000 
1 1 1 8  5  4  o 19.020  0.1164 0.3213000      0.2328000 
1 1 1 8  5  5  o 15.310  0.1086 -0.3798000     0.2172000 
1 1 1 8  5  6  o 5.5610  0.1454 0.3921000      0.2909000 
1 1 1 8  5  7  o 15.390  0.0998 -0.2498000     0.1997000 
1 1 1 8  5  8  o 22.030  0.1079 0.6035000E-01  0.2158000 
1 1 1 8  5  9  o 14.420  0.1131 -0.2536000     0.2262000 
1 1 1 8  5  10 o 11.610  0.1068 -0.2691000     0.2136000 
1 1 1 8  5  11 o 18.570  0.1007 -0.2540000     0.2014000 
1 1 1 8  5  12 o 6.5260  0.1198 0.3605000      0.2395000 
1 1 1 8  5  13 o 15.600  0.1086 -0.1453000     0.2173000 
1 1 1 8  5  14 o 11.110  0.1126 -0.5288000E-01 0.2252000 
1 1 1 8  5  15 o 31.210  0.1297 -0.7711000E-01 0.2593000 
1 1 1 8  5  16 o 8.4680  0.1134 -0.1466000     0.2268000 
1 1 1 8  5  17 o 13.480  0.0991 -0.1109000     0.1983000 
1 1 1 8  5  18 o 24.940  0.1262 -0.4510000E-01 0.2525000 
1 1 1 8  5  19 o 5.2920  0.2019 -0.5504000     0.4039000 
1 1 1 8  5  20 o 8.9190  0.1121 -0.2320000     0.2241000 
1 1 1 8  5  21 o 14.320  0.1026 0.1276000      0.2053000 
1 1 1 8  5  22 o 7.7850  0.1013 -0.1166000     0.2027000 
1 1 1 8  5  23 o 22.290  0.1018 0.1777000      0.2036000 
1 1 1 8  5  24 o 14.680  0.0916 0.3577000      0.1832000 
1 1 1 8  5  25 o 8.7810  0.1075 -0.7298000E-01 0.2150000 
1 1 1 8  5  26 o 4.5780  0.1970 0.6989000      0.3939000 
1 1 1 8  5  27 o 18.240  0.1100 0.2347000      0.2201000 
1 1 1 8  5  28 o 3.9500  0.2375 0.5315000      0.4749000 
1 1 1 8  5  29 o 18.620  0.1066 0.1447000      0.2132000 
1 1 1 8  5  30 o 11.820  0.1186 0.3642000E-01  0.2373000 
1 1 1 8  5  31 o 8.2740  0.1384 -0.1727000     0.2767000 
1 1 1 8  5  32 f 29.870  0.1274 -0.1141000     0.2548000 
1 1 1 8  5  33 o 9.4800  0.1483 -0.8375000     0.2966000 
1 1 1 8  5  34 o 7.5190  0.2049 0.4430000      0.4097000 
1 1 1 8  5  35 o 11.820  0.1365 0.1516000      0.2730000 
1 1 1 8  5  36 o 34.060  0.1420 0.8930000E-01  0.2841000 
1 1 1 8  5  37 o 5.9260  0.3263 -1.019000      0.6525000 
1 1 1 8  5  38 o 21.580  0.1569 -0.6115000E-01 0.3138000 
1 1 1 8  5  39 o 7.6260  0.2321 0.4811000      0.4642000 
1 1 1 8  5  40 o 19.150  0.1400 0.1296000E-01  0.2799000 
1 1 1 8  5  41 o 7.1640  0.2530 0.3068000      0.5061000 
1 1 1 8  5  42 o 12.310  0.1619 0.2241000      0.3238000 
1 1 1 8  5  43 o 3.2060  0.5672 0.1625000      1.134000  
1 1 1 8  5  44 o 14.490  0.1665 0.7656000      0.3330000 
1 1 1 8  5  45 o 19.600  0.1394 0.6750000      0.2789000 
1 1 1 8  5  46 o 10.020  0.1880 -0.1191000     0.3761000 
1 1 1 8  5  47 o 15.020  0.1518 -0.1261000     0.3036000 
1 1 1 8  5  48 o 32.610  0.1662 0.2440000      0.3323000 
1 1 1 8  5  49 o 13.710  0.1709 -0.6405000     0.3417000 
1 1 1 8  5  50 o 15.510  0.1450 -0.6405000E-01 0.2901000 
1 1 1 8  5  51 o 4.2460  0.4141 1.314000       0.8283000 
1 1 1 8  5  52 o 4.0620  0.4234 -0.6329000     0.8467000 
1 1 1 8  5  53 o 10.180  0.1810 0.4996000E-01  0.3620000 
1 1 1 8  5  54 o 3.4750  0.4791 -1.158000      0.9582000 
1 1 1 8  5  55 o 3.2690  0.4927 0.9648000      0.9854000 
1 1 1 8  5  56 o 2.1800  0.5565 -0.1390000     1.113000  
1 1 1 8  5  57 o 3.8680  0.4251 0.1745000      0.8501000 
1 1 1 8  5  58 o 3.8360  0.5373 -0.4225000     1.075000  
1 1 1 8  5  59 o 11.240  0.2083 0.1918000      0.4165000 
1 1 1 8  5  60 o 4.5040  0.3745 0.6987000E-01  0.7489000 
1 1 1 8  5  61 o 2.6390  0.6240 0.4084000      1.248000  
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1 1 1 8  5  63 o 9.1920  0.2172 -0.6161000     0.4344000 
1 1 1 8  5  64 o 5.1590  0.3174 -0.1273000     0.6348000 
1 1 1 8  5  65 o 5.9560  0.2628 -0.2396000     0.5255000 
1 1 1 8  5  66 o 7.7330  0.2327 -0.1688000     0.4653000 
1 1 1 8  5  67 o 11.260  0.1819 -0.1326000     0.3638000 
1 1 1 8  5  68 o 10.300  0.2047 -0.1379000     0.4095000 
1 1 1 8  5  69 o 7.9680  0.2813 0.5038000      0.5627000 
1 1 1 8  5  70 o 1.9280  0.5684 0.3729000      1.137000  
1 1 1 8  5  71 o 4.7170  0.4038 -0.5465000     0.8077000 
1 1 1 8  6  0  f 8.7650  0.1483 0.000000       0.000000  
1 1 1 8  6  1  o 27.210  0.1447 -0.1439000     0.2894000 
1 1 1 8  6  2  o 3.7150  0.2133 0.1593000      0.4265000 
1 1 1 8  6  3  o 9.6580  0.1108 -0.1820000     0.2215000 
1 1 1 8  6  4  o 18.140  0.1090 0.2698000      0.2180000 
1 1 1 8  6  5  o 37.430  0.1854 0.2213000      0.3708000 
1 1 1 8  6  6  o 18.900  0.1109 -0.2215000     0.2217000 
1 1 1 8  6  7  o 15.680  0.0960 -0.1419000     0.1920000 
1 1 1 8  6  8  o 6.9140  0.1208 0.3542000      0.2417000 
1 1 1 8  6  9  o 18.750  0.1020 0.1623000      0.2041000 
1 1 1 8  6  10 o 6.0450  0.1169 0.1026000      0.2337000 
1 1 1 8  6  11 o 21.120  0.1045 -0.1885000     0.2090000 
1 1 1 8  6  12 f 3.8450  0.2010 -0.5879000     0.4021000 
1 1 1 8  6  13 o 3.9330  0.1990 -0.1048000E-01 0.3981000 
1 1 1 8  6  14 o 18.710  0.0970 -0.1951000     0.1940000 
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1 1 1 8  6  16 o 2.2340  0.3462 0.1785000      0.6925000 
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1 1 1 8  6  19 o 15.110  0.0996 0.2479000      0.1991000 
1 1 1 8  6  20 o 16.040  0.1115 0.5151000E-01  0.2231000 
1 1 1 8  6  21 o 7.4030  0.1742 0.1024000      0.3484000 
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1 1 1 8  6  23 o 1.3630  0.3638 -0.1658000     0.7276000 
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1 1 1 8  6  25 o 9.1920  0.1396 0.1413000      0.2792000 
1 1 1 8  6  26 o 6.0460  0.1937 0.2168000      0.3875000 
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1 1 1 8  6  39 o 16.890  0.1785 0.2352000      0.3571000 
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1 1 1 8  6  47 o 6.0410  0.3063 -0.4053000     0.6126000 
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1 1 1 8  6  49 o 8.4130  0.2147 0.5226000E-01  0.4293000 
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1 1 1 8  6  51 o 3.6360  0.4574 -0.9817000     0.9147000 
1 1 1 8  6  52 o 3.6630  0.4411 -0.3556000     0.8822000 
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1 1 1 8  6  54 o 11.260  0.1672 -0.1040000     0.3344000 
1 1 1 8  6  55 o 5.3310  0.3001 0.3633000      0.6002000 
1 1 1 8  6  56 o 6.4870  0.2545 0.6831000      0.5090000 
1 1 1 8  6  57 o 9.3150  0.2211 1.076000       0.4423000 
1 1 1 8  6  58 o 1.8200  0.5239 -0.5480000     1.048000  
1 1 1 8  6  59 o 4.2950  0.4060 -0.6184000     0.8119000 
1 1 1 8  6  60 o 5.5420  0.3296 1.495000       0.6593000 
1 1 1 8  6  61 o 5.6240  0.3058 0.4257000      0.6116000 
1 1 1 8  6  62 o 2.1560  0.5438 -0.8114000     1.088000  
1 1 1 8  6  63 o 5.6080  0.3780 0.5148000      0.7561000 
1 1 1 8  6  64 o 2.0360  0.6169 -0.2517000     1.234000  
1 1 1 8  6  65 o 7.3100  0.2784 -0.4863000     0.5568000 
1 1 1 8  6  66 o 9.2680  0.2122 0.1786000      0.4244000 
1 1 1 8  6  67 o 4.2360  0.4525 -0.5411000     0.9051000 
1 1 1 8  6  68 o 3.0920  0.5949 -0.5597000     1.190000  
1 1 1 8  6  69 o 1.5860  0.4979 -0.6289000     0.9957000 
1 1 1 8  6  70 o 2.6320  0.5144 2.284000       1.029000  
1 1 1 8  6  71 o 7.1200  0.2847 -0.8851000E-01 0.5694000 
1 1 1 8  7  0  o 38.000  0.2410 0.000000       0.000000  
1 1 1 8  7  1  o 21.450  0.1139 0.1096000      0.2277000 
1 1 1 8  7  2  f 21.140  0.1125 -0.3005000     0.2250000 
1 1 1 8  7  3  o 5.3420  0.1408 -0.4177000     0.2817000 
1 1 1 8  7  4  o 15.150  0.0986 -0.9926000E-01 0.1972000 
1 1 1 8  7  5  o 29.720  0.1550 0.3364000E-01  0.3100000 
1 1 1 8  7  6  o 29.330  0.1396 0.1976000      0.2792000 
1 1 1 8  7  7  o 29.090  0.1317 -0.4616000     0.2634000 
1 1 1 8  7  8  o 19.850  0.0913 -0.2395000     0.1826000 
1 1 1 8  7  9  o 25.970  0.1052 0.1148000      0.2103000 
1 1 1 8  7  10 o 9.3280  0.0929 0.5269000E-02  0.1858000 
1 1 1 8  7  11 o 25.760  0.1165 -0.1996000     0.2330000 
1 1 1 8  7  12 o 17.790  0.1012 0.2853000E-01  0.2025000 
1 1 1 8  7  13 o 11.860  0.1019 0.3541000E-01  0.2037000 
1 1 1 8  7  14 o 15.930  0.0968 0.3812000      0.1935000 
1 1 1 8  7  15 o 24.080  0.1087 0.1154000      0.2173000 
1 1 1 8  7  16 o 19.060  0.1008 0.7040000E-01  0.2015000 
1 1 1 8  7  17 o 13.250  0.0988 -0.2951000     0.1976000 
1 1 1 8  7  18 o 22.410  0.1071 0.8067000E-01  0.2141000 
1 1 1 8  7  19 o 31.950  0.1295 0.1039000      0.2590000 
1 1 1 8  7  20 o 15.540  0.1011 0.2190000E-01  0.2023000 
1 1 1 8  7  21 o 4.0370  0.2154 -0.3869000     0.4309000 
1 1 1 8  7  22 o 12.220  0.1117 -0.2025000     0.2233000 
1 1 1 8  7  23 o 3.6490  0.3791 -0.5080000     0.7581000 
1 1 1 8  7  24 o 11.310  0.1750 0.5879000      0.3500000 
1 1 1 8  7  25 o 7.8430  0.1397 0.1444000      0.2794000 
1 1 1 8  7  26 o 15.140  0.0982 -0.1605000     0.1965000 
1 1 1 8  7  27 o 22.040  0.1175 -0.1814000     0.2350000 
1 1 1 8  7  28 o 8.8440  0.1156 -0.4284000     0.2311000 
1 1 1 8  7  29 o 6.8070  0.1352 -0.2696000     0.2704000 
1 1 1 8  7  30 o 11.320  0.1062 0.1679000      0.2124000 
1 1 1 8  7  31 o 16.030  0.1026 -0.1543000     0.2052000 
1 1 1 8  7  32 o 7.9790  0.1420 0.5997000E-02  0.2840000 
1 1 1 8  7  33 o 27.500  0.1261 -0.4778000     0.2522000 
1 1 1 8  7  34 o 16.030  0.1166 -0.1393000     0.2331000 
1 1 1 8  7  35 o 22.320  0.1209 -0.7833000E-01 0.2417000 
1 1 1 8  7  36 o 6.8100  0.2006 0.1790000      0.4012000 
1 1 1 8  7  37 o 28.890  0.1446 -0.1974000     0.2892000 
1 1 1 8  7  38 o 15.530  0.1373 0.2230000      0.2747000 
1 1 1 8  7  39 o 10.580  0.1553 0.1458000      0.3107000 
1 1 1 8  7  40 o 12.780  0.1416 -0.4233000E-01 0.2833000 
1 1 1 8  7  41 o 5.0510  0.3759 -1.144000      0.7517000 
1 1 1 8  7  42 o 13.020  0.1981 -0.6481000E-01 0.3963000 
1 1 1 8  7  43 o 3.2080  0.6119 0.6805000      1.224000  
1 1 1 8  7  44 o 11.560  0.1839 0.3494000      0.3677000 
1 1 1 8  7  45 o 8.5710  0.2119 -0.3710000     0.4237000 
1 1 1 8  7  46 o 4.8530  0.3562 0.1758000      0.7124000 
1 1 1 8  7  47 o 10.810  0.2004 -0.1555000     0.4008000 
1 1 1 8  7  48 o 3.2640  0.5212 -0.2508000     1.042000  
1 1 1 8  7  49 o 10.720  0.1795 -0.4534000E-01 0.3590000 
1 1 1 8  7  50 o 1.2220  0.4182 -0.8565000E-01 0.8364000 
1 1 1 8  7  51 o 7.1020  0.2360 0.2280000      0.4720000 
1 1 1 8  7  52 o 7.3130  0.2247 0.2009000      0.4494000 
1 1 1 8  7  53 o 9.0690  0.1888 0.1855000      0.3777000 
1 1 1 8  7  54 o 3.2620  0.4796 0.9498000      0.9592000 
1 1 1 8  7  55 o 6.0130  0.2713 0.8082000      0.5426000 
1 1 1 8  7  56 o 6.1750  0.3530 -0.3720000E-01 0.7059000 
1 1 1 8  7  57 o 6.9680  0.2409 -0.6915000E-01 0.4818000 
1 1 1 8  7  58 o 7.4340  0.2266 -0.1296000     0.4531000 
1 1 1 8  7  59 o 6.8520  0.2581 -0.1024000     0.5163000 
1 1 1 8  7  60 o 9.8070  0.1989 0.4243000      0.3978000 
1 1 1 8  7  61 o 1.5400  0.4871 0.4327000      0.9742000 
1 1 1 8  7  62 o 9.2250  0.2230 -0.1620000     0.4459000 
1 1 1 8  7  63 o 7.7470  0.2720 -0.3907000     0.5440000 
1 1 1 8  7  64 o 5.5630  0.3324 0.2562000      0.6648000 
1 1 1 8  7  65 o 2.4770  0.6837 -0.5443000     1.367000  
1 1 1 8  7  66 o 4.8500  0.7285 0.1301000      1.457000  
1 1 1 8  7  67 o 7.3680  0.3005 -0.6241000E-02 0.6010000 
1 1 1 8  7  68 o 3.9490  0.4618 0.3174000      0.9236000 
1 1 1 8  7  69 o 2.4220  0.5613 -1.367000      1.123000  
1 1 1 8  7  70 o 5.4730  0.3323 -0.2331000     0.6646000 
1 1 1 8  7  71 o 4.3650  0.4765 1.537000       0.9529000 
1 1 1 8  8  0  f 9.8460  0.2799 0.000000       0.000000  
1 1 1 8  8  1  o 6.9770  0.1932 0.000000       0.000000  
1 1 1 8  8  2  o 3.5150  0.3236 0.000000       0.000000  
1 1 1 8  8  3  o 1.5180  0.6722 0.000000       0.000000  
1 1 1 8  8  4  o 0.8958  0.5705 0.000000       0.000000  
1 1 1 8  8  5  o 22.790  0.1456 0.000000       0.000000  
1 1 1 8  8  6  o 27.170  0.1897 0.000000       0.000000  
1 1 1 8  8  7  o 20.340  0.1374 0.000000       0.000000  
1 1 1 8  8  8  o 10.920  0.1272 0.000000       0.000000  
1 1 1 8  8  9  o 35.330  0.1777 0.000000       0.000000  
1 1 1 8  8  10 o 19.940  0.1248 0.000000       0.000000  
1 1 1 8  8  11 o 18.310  0.1205 0.000000       0.000000  
1 1 1 8  8  12 o 18.340  0.1194 0.000000       0.000000  
1 1 1 8  8  13 o 5.9240  0.1783 0.000000       0.000000  
1 1 1 8  8  14 o 11.040  0.1270 0.000000       0.000000  
1 1 1 8  8  15 o 16.240  0.1244 0.000000       0.000000  
1 1 1 8  8  16 o 16.950  0.1253 0.000000       0.000000  
1 1 1 8  8  17 o 5.4130  0.1708 0.000000       0.000000  
1 1 1 8  8  18 o 1.9350  0.4522 0.000000       0.000000  
1 1 1 8  8  19 o 11.660  0.1790 0.000000       0.000000  
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1 1 1 8  8  21 o 8.8280  0.2131 0.000000       0.000000  
1 1 1 8  8  22 o 10.290  0.2306 0.000000       0.000000  
1 1 1 8  8  23 o 1.8320  0.8937 0.000000       0.000000  
1 1 1 8  8  24 o 11.970  0.2299 0.000000       0.000000  
1 1 1 8  8  25 o 2.0840  0.3691 0.000000       0.000000  
1 1 1 8  8  26 o 23.730  0.1620 0.000000       0.000000  
1 1 1 8  8  27 o 6.4680  0.1672 0.000000       0.000000  
1 1 1 8  8  28 o 3.9230  0.2726 0.000000       0.000000  
1 1 1 8  8  29 o 20.610  0.1456 0.000000       0.000000  
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1 1 1 8  8  31 o 15.890  0.1459 0.000000       0.000000  
1 1 1 8  8  32 o 13.860  0.1541 0.000000       0.000000  
1 1 1 8  8  33 o 36.500  0.2206 0.000000       0.000000  
1 1 1 8  8  34 o 16.660  0.1728 0.000000       0.000000  
1 1 1 8  8  35 o 0.7078  0.5086 0.000000       0.000000  
1 1 1 8  8  36 o 6.4760  0.2824 0.000000       0.000000  
1 1 1 8  8  37 o 23.290  0.1845 0.000000       0.000000  
1 1 1 8  8  38 o 3.4240  0.6385 0.000000       0.000000  
1 1 1 8  8  39 o 25.930  0.1932 0.000000       0.000000  
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1 1 1 8  8  42 o 8.7640  0.2553 0.000000       0.000000  
1 1 1 8  8  43 o 4.1020  0.5479 0.000000       0.000000  
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1 1 1 8  8  48 o 13.090  0.2259 0.000000       0.000000  
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1 1 1 8  8  50 o 10.250  0.2466 0.000000       0.000000  
1 1 1 8  8  51 o 12.700  0.2130 0.000000       0.000000  
1 1 1 8  8  52 o 1.2320  0.7837 0.000000       0.000000  
1 1 1 8  8  53 o 15.490  0.1947 0.000000       0.000000  
1 1 1 8  8  54 o 1.2720  0.7998 0.000000       0.000000  
1 1 1 8  8  55 o 17.040  0.2405 0.000000       0.000000  
1 1 1 8  8  56 o 13.980  0.2064 0.000000       0.000000  
1 1 1 8  8  57 o 18.110  0.1944 0.000000       0.000000  
1 1 1 8  8  58 o 1.1530  0.7577 0.000000       0.000000  
1 1 1 8  8  59 o 1.5160  0.8887 0.000000       0.000000  
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1 1 1 8  8  61 o 5.1320  0.5253 0.000000       0.000000  
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1 1 1 9  0  3  o 26.960  0.2263 0.000000       0.000000  
1 1 1 9  0  4  o 20.230  0.1586 0.000000       0.000000  
1 1 1 9  0  5  o 2.0950  0.6828 0.000000       0.000000  
1 1 1 9  0  6  o 12.520  0.1778 0.000000       0.000000  
1 1 1 9  0  7  o 19.480  0.1580 0.000000       0.000000  
1 1 1 9  0  8  o 1.0110  0.6350 0.000000       0.000000  
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1 1 1 9  0  10 o 0.7275  0.5095 0.000000       0.000000  
1 1 1 9  0  11 o 20.280  0.1991 0.000000       0.000000  
1 1 1 9  0  12 o 0.8789  0.5864 0.000000       0.000000  
1 1 1 9  0  13 o 6.1640  0.2690 0.000000       0.000000  
1 1 1 9  0  14 f 6.0490  0.2831 0.000000       0.000000  
1 1 1 9  0  15 o 15.390  0.1930 0.000000       0.000000  
1 1 1 9  0  16 o 20.130  0.1637 0.000000       0.000000  
1 1 1 9  0  17 o 10.580  0.1671 0.000000       0.000000  
1 1 1 9  0  18 o 11.610  0.1624 0.000000       0.000000  
1 1 1 9  0  19 o 8.4190  0.1904 0.000000       0.000000  
1 1 1 9  0  20 o 7.1430  0.2159 0.000000       0.000000  
1 1 1 9  0  21 o 19.050  0.1407 0.000000       0.000000  
1 1 1 9  0  22 o 7.6160  0.1784 0.000000       0.000000  
1 1 1 9  0  23 o 12.840  0.1420 0.000000       0.000000  
1 1 1 9  0  24 o 22.230  0.1524 0.000000       0.000000  
1 1 1 9  0  25 o 8.0260  0.1808 -0.000000      0.000000  
1 1 1 9  0  26 o 3.6630  0.3640 0.000000       0.000000  
1 1 1 9  0  27 o 9.2740  0.1772 0.000000       0.000000  
1 1 1 9  0  28 o 14.090  0.2233 0.000000       0.000000  
1 1 1 9  0  29 o 2.7870  0.8947 0.000000       0.000000  
1 1 1 9  0  30 o 1.5550  0.8957 0.000000       0.000000  
1 1 1 9  0  31 o 14.650  0.1653 0.000000       0.000000  
1 1 1 9  0  32 o 16.530  0.2188 0.000000       0.000000  
1 1 1 9  0  33 o 4.2670  0.5323 0.000000       0.000000  
1 1 1 9  0  34 o 1.2110  0.7498 0.000000       0.000000  
1 1 1 9  0  35 o 10.090  0.2152 0.000000       0.000000  
1 1 1 9  0  36 o 8.9370  0.2426 0.000000       0.000000  
1 1 1 9  0  37 o 17.040  0.2053 0.000000       0.000000  
1 1 1 9  0  38 o 7.5100  0.3160 0.000000       0.000000  
1 1 1 9  0  39 o 19.900  0.1840 0.000000       0.000000  
1 1 1 9  0  40 o 13.620  0.2055 0.000000       0.000000  
1 1 1 9  0  41 o 9.8110  0.2567 0.000000       0.000000  
1 1 1 9  0  42 o 22.040  0.1894 0.000000       0.000000  
1 1 1 9  0  43 o 14.680  0.1902 0.000000       0.000000  
1 1 1 9  0  44 o 15.960  0.1854 0.000000       0.000000  
1 1 1 9  0  45 o 9.2650  0.2601 0.000000       0.000000  
1 1 1 9  0  46 o 1.1320  0.7493 0.000000       0.000000  
1 1 1 9  0  47 o 21.750  0.1809 0.000000       0.000000  
1 1 1 9  0  48 o 9.8210  0.2584 0.000000       0.000000  
1 1 1 9  0  49 o 4.0320  0.6202 0.000000       0.000000  
1 1 1 9  0  50 o 8.4010  0.3284 0.000000       0.000000  
1 1 1 9  0  51 o 1.5200  0.9156 0.000000       0.000000  
1 1 1 9  0  52 o 10.630  0.2818 0.000000       0.000000  
1 1 1 9  0  53 o 2.1380  1.0390 0.000000       0.000000  
1 1 1 9  0  54 o 9.9150  0.3182 0.000000       0.000000  
1 1 1 9  0  55 o 5.4170  0.5803 0.000000       0.000000  
1 1 1 9  0  56 o 6.0700  0.4174 0.000000       0.000000  
1 1 1 9  0  57 o 10.030  0.2458 0.000000       0.000000  
1 1 1 9  0  58 o 11.170  0.2304 0.000000       0.000000  
1 1 1 9  0  59 o 2.8990  0.8390 0.000000       0.000000  
1 1 1 9  0  60 o 1.7770  0.8992 0.000000       0.000000  
1 1 1 9  0  61 o 2.8450  0.8104 0.000000       0.000000  
1 1 1 9  0  62 o 8.2050  0.3003 0.000000       0.000000  
1 1 1 9  0  63 o 3.0040  0.7732 0.000000       0.000000  
1 1 1 9  0  64 o 5.8660  0.4505 0.000000       0.000000  
1 1 1 9  0  65 o 1.0180  0.6834 0.000000       0.000000  
1 1 1 9  0  66 o 1.3590  0.8186 0.000000       0.000000  
1 1 1 9  0  67 o 5.0070  0.4401 0.000000       0.000000  
1 1 1 9  0  68 o 4.1270  0.5464 0.000000       0.000000  
1 1 1 9  0  69 o 7.0450  0.3272 0.000000       0.000000  
1 1 1 9  0  70 o 6.7950  0.3474 -0.000000      0.000000  
1 1 1 9  0  71 o 0.8785  0.6267 0.000000       0.000000  
1 1 1 9  0  72 o 11.960  0.2636 -0.000000      0.000000  
1 1 1 9  1  0  o 17.000  0.1494 0.000000       0.000000  
1 1 1 9  1  1  o 4.0110  0.2155 -0.1075000     0.4309000 
1 1 1 9  1  2  o 12.120  0.1346 -0.2940000     0.2692000 
1 1 1 9  1  3  o 18.640  0.1544 ?              ?         
1 1 1 9  1  4  o 15.350  0.1125 0.1542000      0.2251000 
1 1 1 9  1  5  o 16.530  0.1157 -0.2599000     0.2315000 
1 1 1 9  1  6  o 10.440  0.1484 ?              ?         
1 1 1 9  1  7  o 7.2680  0.1392 -0.1314000     0.2784000 
1 1 1 9  1  8  o 20.190  0.1261 -0.8630000E-01 0.2523000 
1 1 1 9  1  9  o 21.350  0.1296 0.1518000      0.2593000 
1 1 1 9  1  10 o 14.590  0.1302 0.1188000      0.2605000 
1 1 1 9  1  11 o 9.9870  0.1399 -0.8015000E-01 0.2798000 
1 1 1 9  1  12 o 29.600  0.1749 0.7265000E-01  0.3499000 
1 1 1 9  1  13 o 18.530  0.1390 -0.5021000E-01 0.2780000 
1 1 1 9  1  14 o 28.710  0.1724 0.3944000      0.3448000 
1 1 1 9  1  15 o 4.8500  0.2413 0.3080000      0.4826000 
1 1 1 9  1  16 o 16.500  0.1399 -0.6426000E-01 0.2797000 
1 1 1 9  1  17 o 2.9720  0.3258 0.7011000      0.6516000 
1 1 1 9  1  18 o 11.100  0.1165 -0.9365000E-01 0.2330000 
1 1 1 9  1  19 o 2.9870  0.3927 1.007000       0.7854000 
1 1 1 9  1  20 o 10.100  0.1156 -0.1190000     0.2313000 
1 1 1 9  1  21 o 6.5800  0.1541 0.7084000E-01  0.3082000 
1 1 1 9  1  22 o 5.7300  0.1534 -0.7127000E-01 0.3069000 
1 1 1 9  1  23 o 11.420  0.1134 0.1165000      0.2268000 
1 1 1 9  1  24 o 9.7460  0.1240 -0.1023000     0.2481000 
1 1 1 9  1  25 o 1.7140  0.4401 0.1141000      0.8802000 
1 1 1 9  1  26 o 24.170  0.1235 0.2094000E-01  0.2470000 
1 1 1 9  1  27 o 17.280  0.1046 0.6525000E-01  0.2093000 
1 1 1 9  1  28 o 10.850  0.1338 -0.1414000E-01 0.2676000 
1 1 1 9  1  29 o 2.0560  0.4901 -0.6667000     0.9801000 
1 1 1 9  1  30 o 16.190  0.1351 0.3784000      0.2701000 
1 1 1 9  1  31 o 27.720  0.1567 0.3131000      0.3133000 
1 1 1 9  1  32 o 13.470  0.1532 0.2931000      0.3063000 
1 1 1 9  1  33 o 17.980  0.1348 -0.2308000     0.2696000 
1 1 1 9  1  34 o 12.690  0.1315 0.1297000      0.2631000 
1 1 1 9  1  35 o 25.570  0.1482 0.1045000      0.2964000 
1 1 1 9  1  36 o 7.2190  0.2572 -0.6740000     0.5145000 
1 1 1 9  1  37 o 15.700  0.1362 0.6274000E-01  0.2723000 
1 1 1 9  1  38 o 3.8390  0.4203 -0.8457000     0.8405000 
1 1 1 9  1  39 o 8.8720  0.1800 0.7589000      0.3600000 
1 1 1 9  1  40 o 6.5360  0.2587 0.4635000      0.5175000 
1 1 1 9  1  41 o 7.4840  0.2225 0.2678000      0.4451000 
1 1 1 9  1  42 o 10.970  0.1645 0.4286000E-01  0.3289000 
1 1 1 9  1  43 o 17.050  0.1340 0.5081000      0.2680000 
1 1 1 9  1  44 o 8.0820  0.2156 -0.3858000     0.4312000 
1 1 1 9  1  45 o 7.4260  0.2340 -0.5648000E-01 0.4679000 
1 1 1 9  1  46 o 18.050  0.1370 -0.9036000E-01 0.2739000 
1 1 1 9  1  47 o 14.240  0.1520 -0.3893000     0.3040000 
1 1 1 9  1  48 o 7.8600  0.2203 0.3424000      0.4406000 
1 1 1 9  1  49 o 19.450  0.1328 0.3515000      0.2657000 
1 1 1 9  1  50 o 6.5330  0.2781 0.1974000E-01  0.5563000 
1 1 1 9  1  51 o 6.3650  0.3315 -1.055000      0.6630000 
1 1 1 9  1  52 o 2.1880  0.5949 -0.6203000     1.190000  
1 1 1 9  1  53 o 2.1350  0.5913 -0.3142000     1.183000  
1 1 1 9  1  54 o 13.640  0.1820 -0.1533000     0.3639000 
1 1 1 9  1  55 f 15.500  0.1550 0.1519000E-01  0.3100000 
1 1 1 9  1  56 o 8.5180  0.2461 0.5880000      0.4922000 
1 1 1 9  1  57 o 5.1260  0.3764 -0.2385000E-01 0.7529000 
1 1 1 9  1  58 o 11.050  0.1811 -0.1422000     0.3623000 
1 1 1 9  1  59 o 3.2100  0.4647 -0.8002000     0.9294000 
1 1 1 9  1  60 o 10.280  0.1672 -0.3104000     0.3344000 
1 1 1 9  1  61 o 4.9880  0.3217 0.8854000E-01  0.6433000 
1 1 1 9  1  62 o 4.4360  0.3290 -0.3616000     0.6579000 
1 1 1 9  1  63 o 4.8780  0.3824 0.4968000      0.7648000 
1 1 1 9  1  64 o 2.3470  0.5012 -1.091000      1.002000  
1 1 1 9  1  65 o 2.8920  0.4855 1.296000       0.9710000 
1 1 1 9  1  66 o 3.2330  0.4860 0.7027000      0.9721000 
1 1 1 9  1  67 o 8.0830  0.2026 -0.1593000     0.4052000 
1 1 1 9  1  68 o 2.0910  0.4616 -1.800000      0.9232000 
1 1 1 9  1  69 o 4.2780  0.3677 -0.2499000     0.7354000 
1 1 1 9  1  70 o 1.9660  0.5420 0.1248000      1.084000  
1 1 1 9  1  71 o 3.5090  0.5039 -0.4597000     1.008000  
1 1 1 9  1  72 o 4.8300  0.4304 0.3293000      0.8609000 
1 1 1 9  2  0  o 29.400  0.2408 -0.000000      0.000000  
1 1 1 9  2  1  o 3.7790  0.2713 0.1166000      0.5426000 
1 1 1 9  2  2  o 12.630  0.1316 0.9227000E-01  0.2633000 
1 1 1 9  2  3  o 15.790  0.1058 -0.1937000     0.2117000 
1 1 1 9  2  4  o 16.420  0.1718 ?              ?         
1 1 1 9  2  5  o 11.870  0.1119 0.2145000      0.2239000 
1 1 1 9  2  6  o 24.060  0.1358 0.2549000      0.2717000 
1 1 1 9  2  7  o 26.080  0.1281 -0.2032000     0.2563000 
1 1 1 9  2  8  o 24.110  0.1222 -0.1392000     0.2443000 
1 1 1 9  2  9  o 8.4420  0.1320 -0.9766000E-01 0.2641000 
1 1 1 9  2  10 o 17.770  0.1230 -0.9665000E-01 0.2460000 
1 1 1 9  2  11 o 34.460  0.1779 -0.1951000     0.3558000 
1 1 1 9  2  12 o 19.600  0.1420 -0.1035000     0.2840000 
1 1 1 9  2  13 o 10.920  0.1423 0.6523000      0.2846000 
1 1 1 9  2  14 o 15.090  0.1366 0.5716000      0.2733000 
1 1 1 9  2  15 o 7.3230  0.1645 0.1846000      0.3290000 
1 1 1 9  2  16 o 23.600  0.1570 -0.8955000E-02 0.3139000 
1 1 1 9  2  17 o 2.7940  0.3486 0.4935000      0.6973000 
1 1 1 9  2  18 o 16.430  0.1122 0.8672000E-01  0.2244000 
1 1 1 9  2  19 o 8.8470  0.1302 -0.3650000     0.2605000 
1 1 1 9  2  20 o 11.240  0.1191 -0.2643000E-02 0.2383000 
1 1 1 9  2  21 o 10.020  0.1283 0.2021000      0.2566000 
1 1 1 9  2  22 o 13.650  0.1046 0.6243000E-01  0.2093000 
1 1 1 9  2  23 o 16.690  0.0989 -0.1809000     0.1978000 
1 1 1 9  2  24 o 16.910  0.1083 -0.5325000E-01 0.2165000 
1 1 1 9  2  25 o 30.020  0.1528 1.042000       0.3057000 
1 1 1 9  2  26 f 7.6350  0.1453 0.8364000E-01  0.2906000 
1 1 1 9  2  27 o 6.4210  0.1767 0.1415000      0.3534000 
1 1 1 9  2  28 o 12.730  0.1166 0.4588000E-01  0.2332000 
1 1 1 9  2  29 o 12.380  0.1203 0.4918000E-01  0.2405000 
1 1 1 9  2  30 o 8.8100  0.1549 0.3048000      0.3098000 
1 1 1 9  2  31 o 3.4520  0.3637 -0.7916000     0.7274000 
1 1 1 9  2  32 o 18.300  0.1168 -0.6949000E-01 0.2337000 
1 1 1 9  2  33 o 28.840  0.1353 -0.2864000     0.2706000 
1 1 1 9  2  34 o 22.270  0.1447 -0.9209000     0.2895000 
1 1 1 9  2  35 o 10.300  0.1697 -0.2447000     0.3393000 
1 1 1 9  2  36 o 17.700  0.1208 -0.3863000E-01 0.2416000 
1 1 1 9  2  37 o 23.660  0.1359 0.9610000E-01  0.2719000 
1 1 1 9  2  38 o 21.070  0.1358 0.9476000E-01  0.2717000 
1 1 1 9  2  39 o 8.0700  0.2193 0.1068000      0.4387000 
1 1 1 9  2  40 o 4.2170  0.4046 -0.6052000     0.8093000 
1 1 1 9  2  41 f 5.1690  0.3602 -0.1026000     0.7203000 
1 1 1 9  2  42 o 18.630  0.1315 -0.1460000     0.2630000 
1 1 1 9  2  43 o 23.700  0.1315 0.1129000      0.2630000 
1 1 1 9  2  44 o 6.2530  0.2698 0.5192000      0.5396000 
1 1 1 9  2  45 o 9.4110  0.1945 -0.4042000     0.3890000 
1 1 1 9  2  46 o 3.8830  0.4484 0.9130000      0.8968000 
1 1 1 9  2  47 o 3.6130  0.4954 -0.7082000     0.9909000 
1 1 1 9  2  48 o 11.720  0.1723 -0.3843000     0.3445000 
1 1 1 9  2  49 o 1.7280  0.5379 0.3266000      1.076000  
1 1 1 9  2  50 o 15.260  0.1707 0.1651000      0.3415000 
1 1 1 9  2  51 o 5.2890  0.3512 0.4700000      0.7025000 
1 1 1 9  2  52 o 2.2660  0.5603 -0.1240000     1.121000  
1 1 1 9  2  53 o 5.8000  0.3141 0.5206000      0.6283000 
1 1 1 9  2  54 o 11.600  0.1932 -0.4784000     0.3863000 
1 1 1 9  2  55 o 8.6450  0.2171 0.4407000E-01  0.4342000 
1 1 1 9  2  56 f 5.5960  0.3049 -0.5021000     0.6098000 
1 1 1 9  2  57 o 3.1530  0.4892 0.2516000      0.9784000 
1 1 1 9  2  58 o 7.5450  0.2378 -0.6167000     0.4756000 
1 1 1 9  2  59 o 5.6660  0.3050 -0.2261000     0.6099000 
1 1 1 9  2  60 f 9.1080  0.2073 -0.2876000E-01 0.4146000 
1 1 1 9  2  61 o 7.3200  0.2311 0.1573000      0.4621000 
1 1 1 9  2  62 o 8.5090  0.2109 -0.2339000     0.4219000 
1 1 1 9  2  63 o 3.9780  0.3821 0.1293000      0.7642000 
1 1 1 9  2  64 o 1.8390  0.5122 0.6973000      1.024000  
1 1 1 9  2  65 o 7.6490  0.2019 -0.1664000     0.4038000 
1 1 1 9  2  66 o 4.4970  0.3437 0.2123000      0.6874000 
1 1 1 9  2  67 o 3.5900  0.4696 1.718000       0.9392000 
1 1 1 9  2  68 o 4.0940  0.3821 0.1855000      0.7641000 
1 1 1 9  2  69 o 3.9500  0.4451 -0.5872000     0.8902000 
1 1 1 9  2  70 o 3.6540  0.5220 -0.1384000     1.044000  
1 1 1 9  2  71 o 3.4500  0.5739 1.205000       1.148000  
1 1 1 9  2  72 o 4.9890  0.3939 0.9152000      0.7879000 
1 1 1 9  3  0  o 8.8320  0.2499 0.000000       0.000000  
1 1 1 9  3  1  f 10.140  0.1457 -0.2182000     0.2915000 
1 1 1 9  3  2  o 14.080  0.1146 0.2233000      0.2292000 
1 1 1 9  3  3  o 11.630  0.1008 -0.1762000     0.2015000 
1 1 1 9  3  4  o 16.640  0.1150 -0.1451000     0.2301000 
1 1 1 9  3  5  o 28.100  0.1504 -0.3756000     0.3007000 
1 1 1 9  3  6  o 18.270  0.1183 -0.1350000     0.2365000 
1 1 1 9  3  7  o 8.4920  0.1125 0.5971000      0.2250000 
1 1 1 9  3  8  o 47.910  0.2082 -0.2038000     0.4164000 
1 1 1 9  3  9  o 21.790  0.1163 -0.4436000     0.2326000 
1 1 1 9  3  10 o 7.7500  0.1538 -0.9287000     0.3076000 
1 1 1 9  3  11 o 10.970  0.1417 -0.4124000     0.2834000 
1 1 1 9  3  12 o 28.590  0.1564 -0.1286000     0.3127000 
1 1 1 9  3  13 o 24.760  0.1442 -0.2564000     0.2884000 
1 1 1 9  3  14 o 13.710  0.1277 0.3237000      0.2553000 
1 1 1 9  3  15 o 7.0970  0.1732 -0.3909000     0.3464000 
1 1 1 9  3  16 o 20.040  0.1355 0.1944000      0.2710000 
1 1 1 9  3  17 o 7.0420  0.1809 0.4528000      0.3618000 
1 1 1 9  3  18 o 15.590  0.1276 -0.5940000E-01 0.2552000 
1 1 1 9  3  19 o 3.0610  0.3721 0.4169000      0.7442000 
1 1 1 9  3  20 f 5.5800  0.2031 ?              ?         
1 1 1 9  3  21 o 3.1130  0.3913 0.7932000      0.7827000 
1 1 1 9  3  22 o 21.440  0.1364 0.4067000E-01  0.2728000 
1 1 1 9  3  23 o 14.240  0.1042 -0.3518000     0.2084000 
1 1 1 9  3  24 o 4.3540  0.1987 -0.5783000     0.3975000 
1 1 1 9  3  25 o 12.770  0.0990 0.7204000E-01  0.1980000 
1 1 1 9  3  26 o 10.060  0.1185 -0.3503000     0.2371000 
1 1 1 9  3  27 o 27.570  0.1312 0.2837000E-01  0.2624000 
1 1 1 9  3  28 f 6.7980  0.1500 0.5647000      0.3001000 
1 1 1 9  3  29 o 5.7280  0.1842 0.3560000      0.3684000 
1 1 1 9  3  30 o 15.350  0.1162 -0.2272000E-01 0.2324000 
1 1 1 9  3  31 o 17.920  0.1134 0.3773000      0.2267000 
1 1 1 9  3  32 o 25.650  0.1253 -0.2211000     0.2507000 
1 1 1 9  3  33 o 27.570  0.1330 -0.3662000     0.2661000 
1 1 1 9  3  34 o 21.030  0.1241 0.4166000      0.2481000 
1 1 1 9  3  35 o 28.040  0.1365 0.1435000      0.2729000 
1 1 1 9  3  36 o 15.210  0.1373 -0.3927000E-01 0.2745000 
1 1 1 9  3  37 o 11.440  0.1621 0.7277000E-01  0.3243000 
1 1 1 9  3  38 o 14.370  0.1474 0.1849000      0.2949000 
1 1 1 9  3  39 o 22.760  0.1262 0.5512000      0.2525000 
1 1 1 9  3  40 o 12.220  0.1664 -0.3536000E-02 0.3328000 
1 1 1 9  3  41 o 5.7850  0.3574 -0.2467000     0.7147000 
1 1 1 9  3  42 o 8.2710  0.2100 -0.5194000     0.4200000 
1 1 1 9  3  43 o 6.1410  0.2951 -0.2226000     0.5903000 
1 1 1 9  3  44 o 7.4070  0.2655 -0.8099000     0.5309000 
1 1 1 9  3  45 o 13.930  0.1513 0.4468000      0.3026000 
1 1 1 9  3  46 o 7.6980  0.2324 0.1708000      0.4648000 
1 1 1 9  3  47 o 9.7130  0.1800 -0.7452000E-01 0.3600000 
1 1 1 9  3  48 o 12.100  0.1726 -0.4104000     0.3451000 
1 1 1 9  3  49 o 16.320  0.1607 0.3937000      0.3213000 
1 1 1 9  3  50 o 17.990  0.1393 0.3228000      0.2786000 
1 1 1 9  3  51 o 5.9840  0.3309 1.051000       0.6617000 
1 1 1 9  3  52 o 3.9050  0.4471 -0.2802000     0.8942000 
1 1 1 9  3  53 o 13.720  0.1475 0.9100000      0.2949000 
1 1 1 9  3  54 o 12.560  0.1625 -0.6691000E-01 0.3250000 
1 1 1 9  3  55 o 4.7990  0.3473 -0.2247000     0.6947000 
1 1 1 9  3  56 o 2.0580  0.5129 -1.107000      1.026000  
1 1 1 9  3  57 o 12.810  0.1615 0.1610000      0.3230000 
1 1 1 9  3  58 o 1.8800  0.5159 1.090000       1.032000  
1 1 1 9  3  59 o 7.4310  0.2561 0.1760000      0.5122000 
1 1 1 9  3  60 o 8.7670  0.2364 -0.5583000E-01 0.4728000 
1 1 1 9  3  61 o 5.8560  0.3060 0.5125000      0.6120000 
1 1 1 9  3  62 o 2.5430  0.5788 0.4100000      1.158000  
1 1 1 9  3  63 o 3.8470  0.4264 0.1681000      0.8529000 
1 1 1 9  3  64 o 5.6070  0.2747 -0.2473000     0.5494000 
1 1 1 9  3  65 o 6.7000  0.2413 -0.4531000     0.4827000 
1 1 1 9  3  66 o 1.8330  0.5231 0.5181000      1.046000  
1 1 1 9  3  67 o 6.2930  0.2876 -0.6545000     0.5751000 
1 1 1 9  3  68 o 3.2420  0.5209 1.119000       1.042000  
1 1 1 9  3  69 o 1.9970  0.5448 -0.9244000     1.090000  
1 1 1 9  3  70 o 2.7510  0.6010 0.1538000      1.202000  
1 1 1 9  3  71 o 1.7550  0.5562 0.5407000      1.112000  
1 1 1 9  4  0  o 22.150  0.2750 0.000000       0.000000  
1 1 1 9  4  1  f 34.610  0.1922 -0.2823000     0.3844000 
1 1 1 9  4  2  o 14.800  0.1224 0.5339000E-01  0.2447000 
1 1 1 9  4  3  o 12.110  0.1092 0.3178000      0.2184000 
1 1 1 9  4  4  o 22.150  0.1297 0.4135000E-01  0.2594000 
1 1 1 9  4  5  o 19.410  0.1217 0.2213000      0.2434000 
1 1 1 9  4  6  o 9.2620  0.1073 -0.4774000     0.2146000 
1 1 1 9  4  7  o 10.530  0.1148 0.8749000E-01  0.2296000 
1 1 1 9  4  8  o 12.800  0.1015 0.2500000      0.2030000 
1 1 1 9  4  9  o 8.6080  0.1362 -0.1192000     0.2723000 
1 1 1 9  4  10 o 29.350  0.1589 -0.5993000E-01 0.3178000 
1 1 1 9  4  11 o 35.210  0.1824 -0.2006000     0.3648000 
1 1 1 9  4  12 o 17.000  0.1253 0.1812000E-03  0.2505000 
1 1 1 9  4  13 f 36.120  0.1863 0.5460000E-01  0.3727000 
1 1 1 9  4  14 o 25.700  0.1485 0.2142000      0.2970000 
1 1 1 9  4  15 o 7.4990  0.1629 -0.3284000     0.3258000 
1 1 1 9  4  16 o 17.960  0.1475 -0.4487000E-01 0.2949000 
1 1 1 9  4  17 o 18.510  0.1378 0.2597000      0.2756000 
1 1 1 9  4  18 o 16.430  0.1022 0.1837000      0.2045000 
1 1 1 9  4  19 o 10.170  0.1205 -0.3160000     0.2410000 
1 1 1 9  4  20 o 12.260  0.1043 -0.9178000E-01 0.2085000 
1 1 1 9  4  21 o 17.560  0.1037 -0.1407000     0.2074000 
1 1 1 9  4  22 o 8.5790  0.1248 -0.1001000E-01 0.2496000 
1 1 1 9  4  23 o 10.870  0.1138 -0.4989000E-01 0.2277000 
1 1 1 9  4  24 o 19.030  0.0979 0.1377000      0.1958000 
1 1 1 9  4  25 o 18.750  0.1090 -0.1746000E-01 0.2180000 
1 1 1 9  4  26 o 30.360  0.1388 0.1896000      0.2776000 
1 1 1 9  4  27 o 21.540  0.1056 0.6825000E-01  0.2112000 
1 1 1 9  4  28 o 13.880  0.1059 -0.7121000E-01 0.2117000 
1 1 1 9  4  29 o 9.5910  0.1243 0.4894000      0.2487000 
1 1 1 9  4  30 o 14.490  0.1118 0.2366000      0.2236000 
1 1 1 9  4  31 o 7.4810  0.1585 -0.8493000E-01 0.3170000 
1 1 1 9  4  32 o 7.0930  0.1842 -0.3370000     0.3684000 
1 1 1 9  4  33 o 13.090  0.1564 0.8442000E-01  0.3128000 
1 1 1 9  4  34 o 16.500  0.1239 0.2880000      0.2479000 
1 1 1 9  4  35 o 8.6330  0.1728 0.2947000      0.3455000 
1 1 1 9  4  36 o 9.7450  0.1554 0.1032000      0.3109000 
1 1 1 9  4  37 o 29.990  0.1335 0.2306000      0.2671000 
1 1 1 9  4  38 o 18.050  0.1243 0.5237000      0.2487000 
1 1 1 9  4  39 o 24.060  0.1382 0.2353000      0.2763000 
1 1 1 9  4  40 o 11.120  0.1786 -0.3457000     0.3572000 
1 1 1 9  4  41 o 8.5910  0.1980 -0.1199000     0.3960000 
1 1 1 9  4  42 o 18.280  0.1508 0.2521000      0.3016000 
1 1 1 9  4  43 o 5.5540  0.4356 -1.413000      0.8713000 
1 1 1 9  4  44 o 20.780  0.1522 -0.8398000E-02 0.3044000 
1 1 1 9  4  45 o 19.570  0.1323 0.4986000      0.2645000 
1 1 1 9  4  46 o 6.6380  0.2536 -0.9619000E-01 0.5072000 
1 1 1 9  4  47 o 17.850  0.1444 0.6396000      0.2888000 
1 1 1 9  4  48 o 20.320  0.1499 -0.1895000     0.2997000 
1 1 1 9  4  49 o 6.2720  0.2871 0.8976000      0.5743000 
1 1 1 9  4  50 o 2.9630  0.5454 -1.024000      1.091000  
1 1 1 9  4  51 o 7.4620  0.2256 -0.3023000E-01 0.4513000 
1 1 1 9  4  52 o 3.6240  0.4467 -1.210000      0.8934000 
1 1 1 9  4  53 o 9.7210  0.1778 -0.3060000E-01 0.3555000 
1 1 1 9  4  54 o 12.650  0.1597 0.8318000E-01  0.3193000 
1 1 1 9  4  55 o 11.540  0.1769 -0.2653000     0.3537000 
1 1 1 9  4  56 o 2.0600  0.5506 -0.8309000     1.101000  
1 1 1 9  4  57 o 9.6150  0.1914 0.8422000E-01  0.3827000 
1 1 1 9  4  58 o 10.370  0.2110 0.3706000E-01  0.4220000 
1 1 1 9  4  59 o 7.6150  0.2894 0.2134000E-01  0.5789000 
1 1 1 9  4  60 o 9.9110  0.1988 0.2911000      0.3975000 
1 1 1 9  4  61 o 6.6510  0.2731 -0.2687000     0.5463000 
1 1 1 9  4  62 o 10.460  0.1991 -0.4916000     0.3981000 
1 1 1 9  4  63 o 11.460  0.1911 0.4130000      0.3822000 
1 1 1 9  4  64 o 1.4250  0.4627 -0.4502000     0.9254000 
1 1 1 9  4  65 o 11.730  0.1682 0.1444000      0.3363000 
1 1 1 9  4  66 o 8.9160  0.2084 0.1603000E-02  0.4167000 
1 1 1 9  4  67 o 4.9790  0.3511 0.6157000      0.7021000 
1 1 1 9  4  68 o 4.1770  0.4500 0.7075000      0.9000000 
1 1 1 9  4  69 o 3.2960  0.5986 0.2826000      1.197000  
1 1 1 9  4  70 o 1.6200  0.7284 ?              ?         
1 1 1 9  4  71 o 4.1160  0.5249 2.545000       1.050000  
1 1 1 9  5  0  o 47.140  0.4995 0.000000       0.000000  
1 1 1 9  5  1  o 17.050  0.1510 -0.1311000     0.3020000 
1 1 1 9  5  2  o 10.680  0.1200 0.1868000      0.2399000 
1 1 1 9  5  3  f 26.150  0.1757 0.1572000E-01  0.3514000 
1 1 1 9  5  4  o 16.050  0.1360 -0.5541000E-02 0.2720000 
1 1 1 9  5  5  o 43.200  0.2651 -0.1293000     0.5302000 
1 1 1 9  5  6  o 8.0280  0.1175 -0.2696000     0.2350000 
1 1 1 9  5  7  o 15.600  0.0987 0.1584000      0.1974000 
1 1 1 9  5  8  o 11.550  0.1197 0.3962000      0.2395000 
1 1 1 9  5  9  o 18.130  0.1128 -0.3771000     0.2257000 
1 1 1 9  5  10 o 14.070  0.0983 0.8939000E-01  0.1966000 
1 1 1 9  5  11 o 19.220  0.1049 -0.2229000     0.2098000 
1 1 1 9  5  12 o 13.630  0.0993 -0.1394000     0.1986000 
1 1 1 9  5  13 o 5.6040  0.1493 0.3077000      0.2986000 
1 1 1 9  5  14 o 19.530  0.1104 0.9562000E-01  0.2208000 
1 1 1 9  5  15 o 6.8390  0.1420 -0.2786000     0.2840000 
1 1 1 9  5  16 o 11.380  0.1114 0.3247000      0.2228000 
1 1 1 9  5  17 o 11.190  0.1072 -0.2993000     0.2144000 
1 1 1 9  5  18 f 6.7500  0.1510 -0.7448000E-01 0.3021000 
1 1 1 9  5  19 o 15.050  0.1052 0.1641000      0.2103000 
1 1 1 9  5  20 o 4.0310  0.2319 -0.5098000     0.4638000 
1 1 1 9  5  21 o 10.100  0.1121 -0.1182000     0.2241000 
1 1 1 9  5  22 o 4.3050  0.2113 -0.1419000     0.4226000 
1 1 1 9  5  23 o 8.6970  0.1276 -0.4946000E-01 0.2553000 
1 1 1 9  5  24 o 5.5100  0.2043 -0.2054000     0.4086000 
1 1 1 9  5  25 o 10.960  0.1063 0.8655000E-01  0.2126000 
1 1 1 9  5  26 o 14.410  0.0976 0.7864000E-01  0.1953000 
1 1 1 9  5  27 o 11.520  0.1063 0.1749000      0.2126000 
1 1 1 9  5  28 o 12.080  0.1079 -0.2418000     0.2158000 
1 1 1 9  5  29 o 11.700  0.1134 -0.6181000E-01 0.2267000 
1 1 1 9  5  30 o 14.500  0.1104 -0.1893000E-01 0.2208000 
1 1 1 9  5  31 o 16.850  0.1188 0.1927000      0.2377000 
1 1 1 9  5  32 o 12.580  0.1230 0.1258000      0.2461000 
1 1 1 9  5  33 o 22.910  0.1169 0.3668000      0.2337000 
1 1 1 9  5  34 f 16.080  0.1229 0.3138000      0.2459000 
1 1 1 9  5  35 o 7.1430  0.2017 -0.3087000     0.4034000 
1 1 1 9  5  36 o 10.050  0.1529 0.2096000      0.3058000 
1 1 1 9  5  37 o 25.750  0.1267 -0.5025000E-01 0.2534000 
1 1 1 9  5  38 o 4.7450  0.3052 0.4023000      0.6104000 
1 1 1 9  5  39 o 3.8280  0.4085 -0.6383000     0.8170000 
1 1 1 9  5  40 o 24.170  0.1200 0.1030000E-01  0.2401000 
1 1 1 9  5  41 o 8.6780  0.2128 -0.2921000     0.4255000 
1 1 1 9  5  42 o 4.7540  0.3906 -0.3577000E-01 0.7812000 
1 1 1 9  5  43 o 5.4650  0.3171 0.4577000      0.6342000 
1 1 1 9  5  44 o 10.260  0.2069 -0.1930000     0.4138000 
1 1 1 9  5  45 o 10.640  0.1801 -0.9074000E-01 0.3602000 
1 1 1 9  5  46 f 6.1210  0.3262 -0.1054000     0.6524000 
1 1 1 9  5  47 o 5.2000  0.3752 0.6285000      0.7504000 
1 1 1 9  5  48 o 6.8110  0.2581 0.2273000      0.5162000 
1 1 1 9  5  49 o 7.1160  0.2469 0.6913000      0.4939000 
1 1 1 9  5  50 f 7.7980  0.2275 -0.2416000     0.4551000 
1 1 1 9  5  51 o 12.390  0.1592 0.1546000      0.3185000 
1 1 1 9  5  52 o 8.0910  0.2111 1.021000       0.4221000 
1 1 1 9  5  53 o 6.2460  0.2623 0.2316000      0.5246000 
1 1 1 9  5  54 o 4.7900  0.3387 0.4936000      0.6773000 
1 1 1 9  5  55 o 9.3950  0.1910 -0.1838000     0.3819000 
1 1 1 9  5  56 f 11.260  0.1803 0.3683000      0.3606000 
1 1 1 9  5  57 o 2.4760  0.6140 0.4093000      1.228000  
1 1 1 9  5  58 o 12.050  0.1927 -0.4057000     0.3855000 
1 1 1 9  5  59 o 11.160  0.1828 0.4757000      0.3655000 
1 1 1 9  5  60 o 3.3790  0.5014 1.375000       1.003000  
1 1 1 9  5  61 o 4.8530  0.3476 -0.3510000E-02 0.6952000 
1 1 1 9  5  62 o 5.0070  0.4076 -0.8368000     0.8152000 
1 1 1 9  5  63 o 5.5640  0.3639 -0.2979000     0.7277000 
1 1 1 9  5  64 o 2.4570  0.5924 -0.1609000     1.185000  
1 1 1 9  5  65 o 8.0910  0.2469 0.7499000      0.4938000 
1 1 1 9  5  66 o 11.990  0.1705 0.3297000      0.3411000 
1 1 1 9  5  67 o 2.6230  0.6298 -0.7459000E-01 1.260000  
1 1 1 9  5  68 o 3.7610  0.5347 0.3532000      1.069000  
1 1 1 9  5  69 o 6.2600  0.3082 0.3924000      0.6165000 
1 1 1 9  5  70 o 1.9830  0.5684 -0.6242000     1.137000  
1 1 1 9  5  71 o 7.7410  0.2884 0.5346000      0.5768000 
1 1 1 9  6  0  o 31.540  0.3571 0.000000       0.000000  
1 1 1 9  6  1  o 23.170  0.1784 0.3958000      0.3568000 
1 1 1 9  6  2  o 3.6990  0.2302 -0.5627000     0.4603000 
1 1 1 9  6  3  o 2.2460  0.3553 0.9928000      0.7106000 
1 1 1 9  6  4  o 8.6900  0.1214 0.1653000      0.2429000 
1 1 1 9  6  5  o 30.100  0.1328 -0.2566000E-01 0.2657000 
1 1 1 9  6  6  o 13.540  0.1057 0.6447000E-03  0.2113000 
1 1 1 9  6  7  o 24.000  0.1242 -0.3705000     0.2484000 
1 1 1 9  6  8  o 16.680  0.1047 -0.3395000E-02 0.2093000 
1 1 1 9  6  9  o 10.880  0.0924 -0.2736000     0.1849000 
1 1 1 9  6  10 o 16.210  0.0922 0.1346000      0.1843000 
1 1 1 9  6  11 o 12.010  0.0908 -0.5598000     0.1816000 
1 1 1 9  6  12 o 15.480  0.0966 -0.3112000E-02 0.1932000 
1 1 1 9  6  13 o 14.670  0.0960 0.6253000E-01  0.1920000 
1 1 1 9  6  14 o 17.410  0.1078 0.1744000      0.2156000 
1 1 1 9  6  15 o 28.620  0.1335 -0.1322000     0.2670000 
1 1 1 9  6  16 o 13.530  0.1077 -0.1124000     0.2155000 
1 1 1 9  6  17 o 5.7280  0.1646 0.1745000      0.3293000 
1 1 1 9  6  18 o 2.6340  0.3560 0.5216000      0.7121000 
1 1 1 9  6  19 o 12.660  0.1077 -0.3738000E-01 0.2154000 
1 1 1 9  6  20 o 19.440  0.1151 0.5676000E-01  0.2303000 
1 1 1 9  6  21 o 7.1760  0.1913 -0.2152000     0.3827000 
1 1 1 9  6  22 o 8.0910  0.1689 -0.2257000     0.3378000 
1 1 1 9  6  23 o 19.470  0.1504 0.7159000      0.3009000 
1 1 1 9  6  24 o 6.4460  0.2471 -0.2986000     0.4941000 
1 1 1 9  6  25 o 3.7040  0.4142 -0.8077000     0.8284000 
1 1 1 9  6  26 o 14.930  0.1208 0.1987000      0.2415000 
1 1 1 9  6  27 o 11.530  0.1319 0.1404000      0.2639000 
1 1 1 9  6  28 o 13.080  0.1294 0.2868000      0.2587000 
1 1 1 9  6  29 o 3.9970  0.3542 -0.5430000E-01 0.7083000 
1 1 1 9  6  30 o 22.180  0.1330 -0.3553000E-01 0.2661000 
1 1 1 9  6  31 o 7.7210  0.1851 0.6212000      0.3701000 
1 1 1 9  6  32 o 9.1500  0.2213 -0.8735000     0.4427000 
1 1 1 9  6  33 o 15.150  0.1371 -0.1270000     0.2742000 
1 1 1 9  6  34 o 14.130  0.1622 0.4708000E-01  0.3245000 
1 1 1 9  6  35 o 5.5820  0.3169 0.5446000      0.6339000 
1 1 1 9  6  36 o 16.810  0.1286 -0.6892000E-01 0.2573000 
1 1 1 9  6  37 o 5.9610  0.2316 -0.3175000     0.4632000 
1 1 1 9  6  38 o 16.090  0.1256 0.4996000      0.2511000 
1 1 1 9  6  39 o 6.2190  0.2538 0.1809000      0.5075000 
1 1 1 9  6  40 o 14.670  0.1926 -0.7495000     0.3852000 
1 1 1 9  6  41 o 20.930  0.1741 0.3298000      0.3482000 
1 1 1 9  6  42 o 21.150  0.1457 0.1176000      0.2914000 
1 1 1 9  6  43 o 18.480  0.1640 0.7958000E-01  0.3281000 
1 1 1 9  6  44 f 10.030  0.2346 0.9816000      0.4693000 
1 1 1 9  6  45 o 15.520  0.2136 1.136000       0.4272000 
1 1 1 9  6  46 o 19.880  0.1497 0.4399000      0.2994000 
1 1 1 9  6  47 o 13.750  0.1566 0.2145000      0.3132000 
1 1 1 9  6  48 f 10.690  0.1812 -0.2232000     0.3623000 
1 1 1 9  6  49 o 6.4290  0.2707 1.067000       0.5415000 
1 1 1 9  6  50 o 8.7910  0.2011 0.2629000      0.4023000 
1 1 1 9  6  51 o 3.4250  0.4770 -1.320000      0.9541000 
1 1 1 9  6  52 o 7.8830  0.2141 0.9552000E-01  0.4283000 
1 1 1 9  6  53 o 8.4810  0.2014 -0.1711000     0.4028000 
1 1 1 9  6  54 o 2.9150  0.5223 -0.5209000     1.045000  
1 1 1 9  6  55 o 6.4590  0.2544 0.2002000      0.5087000 
1 1 1 9  6  56 o 6.9830  0.3377 -0.8633000     0.6755000 
1 1 1 9  6  57 o 10.320  0.1896 -0.3570000     0.3791000 
1 1 1 9  6  58 o 2.9200  0.5328 -1.215000      1.066000  
1 1 1 9  6  59 o 2.9370  0.5401 -0.1708000     1.080000  
1 1 1 9  6  60 o 3.2940  0.5082 -0.5765000     1.016000  
1 1 1 9  6  61 o 1.9510  0.5422 0.6317000      1.084000  
1 1 1 9  6  62 o 5.0550  0.3307 0.9175000      0.6613000 
1 1 1 9  6  63 f 3.5550  0.4858 -1.175000      0.9715000 
1 1 1 9  6  64 o 3.0170  0.6018 0.3839000      1.204000  
1 1 1 9  6  65 o 4.7390  0.5731 -0.7734000     1.146000  
1 1 1 9  6  66 o 6.7250  0.3892 0.8398000      0.7783000 
1 1 1 9  6  67 o 5.4540  0.4260 0.2743000      0.8520000 
1 1 1 9  6  68 o 5.8000  0.3251 0.3709000      0.6502000 
1 1 1 9  6  69 o 7.8740  0.2792 0.6100000      0.5585000 
1 1 1 9  6  70 o 2.3370  0.6058 -0.4903000     1.212000  
1 1 1 9  6  71 o 2.3660  0.5806 0.8276000      1.161000  
1 1 1 9  7  0  o 26.200  0.2270 0.000000       0.000000  
1 1 1 9  7  1  o 8.1700  0.1271 -0.9472000E-01 0.2541000 
1 1 1 9  7  2  o 34.240  0.2227 0.3145000      0.4454000 
1 1 1 9  7  3  o 24.750  0.1383 0.3891000      0.2766000 
1 1 1 9  7  4  o 9.0480  0.1163 0.1329000      0.2327000 
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1 1 1 10 0  69 o 1.6370  0.9064 0.000000       0.000000  
1 1 1 10 0  70 o 0.9521  0.6669 0.000000       0.000000  
1 1 1 10 0  71 o 1.8120  1.0200 0.000000       0.000000  
1 1 1 10 1  1  o 7.2640  0.1373 -0.3004000E-01 0.2746000 
1 1 1 10 1  2  o 4.8930  0.1875 0.2914000      0.3751000 
1 1 1 10 1  3  o 10.370  0.1574 -0.1295000E-01 0.3147000 
1 1 1 10 1  4  o 18.240  0.1236 -0.6478000E-01 0.2472000 
1 1 1 10 1  5  o 31.650  0.1664 -0.7376000E-02 0.3327000 
1 1 1 10 1  6  o 32.240  0.1689 -0.6378000E-01 0.3378000 
1 1 1 10 1  7  o 13.710  0.1205 -0.2066000E-01 0.2410000 
1 1 1 10 1  8  o 18.150  0.1252 0.9079000E-01  0.2504000 
1 1 1 10 1  9  o 23.610  0.1398 -0.7103000E-01 0.2796000 
1 1 1 10 1  10 o 43.890  0.2179 0.9404000E-01  0.4357000 
1 1 1 10 1  11 o 16.570  0.1381 -0.1480000     0.2761000 
1 1 1 10 1  12 o 4.4980  0.2647 -0.9662000     0.5294000 
1 1 1 10 1  13 o 27.070  0.1681 -0.1776000     0.3362000 
1 1 1 10 1  14 o 7.7150  0.1777 0.6896000E-02  0.3554000 
1 1 1 10 1  15 o 7.2470  0.1862 -0.9148000E-01 0.3724000 
1 1 1 10 1  16 o 19.880  0.1486 0.9241000E-02  0.2973000 
1 1 1 10 1  17 o 4.5210  0.2630 1.518000       0.5260000 
1 1 1 10 1  18 o 9.8970  0.1300 -0.7865000E-01 0.2600000 
1 1 1 10 1  19 o 9.6660  0.1341 0.4768000E-01  0.2682000 
1 1 1 10 1  20 o 7.2560  0.1610 -0.7051000E-01 0.3219000 
1 1 1 10 1  21 o 17.150  0.1200 0.3812000E-01  0.2400000 
1 1 1 10 1  22 o 10.440  0.1340 -0.8955000E-01 0.2681000 
1 1 1 10 1  23 o 5.7730  0.2074 0.5129000      0.4148000 
1 1 1 10 1  24 o 12.740  0.1160 0.4344000E-01  0.2319000 
1 1 1 10 1  25 o 7.0000  0.1664 0.2986000      0.3327000 
1 1 1 10 1  26 o 11.920  0.1221 0.4836000E-01  0.2442000 
1 1 1 10 1  27 o 3.4190  0.3717 -1.862000      0.7434000 
1 1 1 10 1  28 o 9.1790  0.1614 0.2181000      0.3228000 
1 1 1 10 1  29 o 4.3650  0.2994 0.4746000      0.5988000 
1 1 1 10 1  30 o 18.460  0.1388 0.4134000      0.2777000 
1 1 1 10 1  31 o 8.3270  0.1876 0.2007000      0.3751000 
1 1 1 10 1  32 o 14.200  0.1361 -0.5013000     0.2723000 
1 1 1 10 1  33 o 26.980  0.1420 -0.5639000     0.2840000 
1 1 1 10 1  34 o 9.5050  0.1600 0.1200000      0.3199000 
1 1 1 10 1  35 o 3.0650  0.4982 0.1208000      0.9963000 
1 1 1 10 1  36 o 23.080  0.1480 0.2481000      0.2959000 
1 1 1 10 1  37 o 7.6320  0.2271 -0.6155000E-02 0.4543000 
1 1 1 10 1  38 o 8.0950  0.2064 0.4161000      0.4127000 
1 1 1 10 1  39 o 7.6370  0.2298 -0.1340000     0.4597000 
1 1 1 10 1  40 o 28.400  0.1406 0.6708000E-01  0.2812000 
1 1 1 10 1  41 o 11.510  0.1639 0.3430000E-01  0.3277000 
1 1 1 10 1  42 o 22.010  0.1355 0.3394000      0.2710000 
1 1 1 10 1  43 o 9.2980  0.1908 0.8103000      0.3815000 
1 1 1 10 1  44 o 5.5820  0.3016 0.6547000      0.6032000 
1 1 1 10 1  45 o 17.670  0.1382 0.1040000      0.2764000 
1 1 1 10 1  46 o 20.220  0.1358 -0.7959000E-01 0.2717000 
1 1 1 10 1  47 o 10.670  0.1834 0.2462000      0.3669000 
1 1 1 10 1  48 o 4.0830  0.4657 0.6168000      0.9314000 
1 1 1 10 1  49 o 13.090  0.1834 0.4141000      0.3668000 
1 1 1 10 1  50 o 10.960  0.1986 0.4105000      0.3972000 
1 1 1 10 1  51 o 15.230  0.1538 0.9964000E-01  0.3075000 
1 1 1 10 1  52 o 15.780  0.1584 0.1498000      0.3169000 
1 1 1 10 1  53 o 5.5830  0.3408 0.1313000      0.6817000 
1 1 1 10 1  54 o 2.9760  0.5848 0.7014000      1.170000  
1 1 1 10 1  55 o 1.8190  0.5378 0.2449000E-01  1.076000  
1 1 1 10 1  56 f 6.6330  0.2645 -0.6738000     0.5290000 
1 1 1 10 1  57 o 3.4200  0.5309 1.040000       1.062000  
1 1 1 10 1  58 o 8.7890  0.2139 0.4422000      0.4278000 
1 1 1 10 1  59 o 2.3550  0.5561 0.4361000      1.112000  
1 1 1 10 1  60 o 5.2150  0.3430 -0.3775000E-01 0.6860000 
1 1 1 10 1  61 o 5.1020  0.3171 0.5545000      0.6342000 
1 1 1 10 1  62 o 6.5930  0.3090 -1.203000      0.6179000 
1 1 1 10 1  63 f 7.6160  0.2096 -0.7238000     0.4193000 
1 1 1 10 1  64 o 3.4370  0.4235 0.3176000      0.8470000 
1 1 1 10 1  65 o 3.0020  0.4828 0.1129000E-01  0.9655000 
1 1 1 10 1  66 o 3.1270  0.4810 0.2300000      0.9621000 
1 1 1 10 1  67 o 4.9810  0.3209 -1.033000      0.6417000 
1 1 1 10 1  68 f 2.7340  0.5363 0.4087000      1.073000  
1 1 1 10 1  69 o 12.130  0.1670 0.1033000      0.3340000 
1 1 1 10 1  70 o 2.3370  0.5674 1.325000       1.135000  
1 1 1 10 1  71 o 3.9910  0.4784 1.237000       0.9567000 
1 1 1 10 2  0  o 5.6060  0.2389 0.000000       0.000000  
1 1 1 10 2  1  o 20.820  0.1115 -0.1724000     0.2230000 
1 1 1 10 2  2  o 4.0350  0.2536 0.8860000E-03  0.5071000 
1 1 1 10 2  3  o 6.6310  0.2025 -1.250000      0.4051000 
1 1 1 10 2  4  o 22.620  0.1350 -0.2641000     0.2701000 
1 1 1 10 2  5  o 17.340  0.1091 -0.2780000     0.2182000 
1 1 1 10 2  6  o 18.180  0.1218 0.2637000      0.2436000 
1 1 1 10 2  7  o 17.620  0.1238 0.4363000      0.2475000 
1 1 1 10 2  8  o 27.550  0.1354 -0.1458000     0.2709000 
1 1 1 10 2  9  o 18.500  0.1270 -0.1367000     0.2540000 
1 1 1 10 2  10 o 27.150  0.1519 -0.1410000     0.3039000 
1 1 1 10 2  11 o 16.880  0.1395 -0.7286000E-01 0.2791000 
1 1 1 10 2  12 o 23.580  0.1419 -0.4534000     0.2838000 
1 1 1 10 2  13 o 13.540  0.1423 -0.8853000E-01 0.2846000 
1 1 1 10 2  14 o 26.300  0.1663 0.2330000      0.3326000 
1 1 1 10 2  15 o 10.620  0.2188 ?              ?         
1 1 1 10 2  16 o 12.840  0.1484 -0.3105000     0.2969000 
1 1 1 10 2  17 o 15.980  0.1333 0.2039000      0.2665000 
1 1 1 10 2  18 o 7.0050  0.1879 0.1494000      0.3759000 
1 1 1 10 2  19 o 12.120  0.1223 -0.1498000     0.2446000 
1 1 1 10 2  20 o 3.6420  0.2962 0.3143000      0.5925000 
1 1 1 10 2  21 o 6.1600  0.1880 0.5503000      0.3761000 
1 1 1 10 2  22 o 8.0850  0.1482 -0.2526000     0.2964000 
1 1 1 10 2  23 o 16.270  0.1353 -0.2802000     0.2707000 
1 1 1 10 2  24 o 10.140  0.1582 -0.1886000     0.3164000 
1 1 1 10 2  25 o 13.540  0.1198 0.1486000      0.2395000 
1 1 1 10 2  26 o 10.840  0.1320 0.1518000E-01  0.2640000 
1 1 1 10 2  27 o 19.090  0.1170 0.7441000E-01  0.2340000 
1 1 1 10 2  28 o 4.9970  0.2393 0.1450000      0.4786000 
1 1 1 10 2  29 o 5.6230  0.2082 0.2448000      0.4164000 
1 1 1 10 2  30 o 19.450  0.1195 0.4074000      0.2390000 
1 1 1 10 2  31 o 18.140  0.1206 -0.2825000E-01 0.2413000 
1 1 1 10 2  32 o 23.400  0.1284 -0.2232000     0.2568000 
1 1 1 10 2  33 o 10.730  0.1504 0.2173000      0.3008000 
1 1 1 10 2  34 o 11.150  0.1654 0.3453000E-02  0.3308000 
1 1 1 10 2  35 o 17.370  0.1448 0.5170000      0.2895000 
1 1 1 10 2  36 o 15.410  0.1389 0.1656000      0.2777000 
1 1 1 10 2  37 o 13.930  0.1411 -0.6727000     0.2822000 
1 1 1 10 2  38 o 13.250  0.1549 0.1717000      0.3098000 
1 1 1 10 2  39 o 13.710  0.1561 0.8258000E-01  0.3122000 
1 1 1 10 2  40 o 6.8120  0.2386 -0.4992000E-01 0.4771000 
1 1 1 10 2  41 o 12.030  0.1666 0.1103000      0.3332000 
1 1 1 10 2  42 o 14.380  0.1671 -1.045000      0.3341000 
1 1 1 10 2  43 o 12.730  0.1635 0.1347000      0.3271000 
1 1 1 10 2  44 o 23.520  0.1330 -0.1208000     0.2661000 
1 1 1 10 2  45 o 13.620  0.1540 -0.2179000     0.3079000 
1 1 1 10 2  46 o 11.400  0.1734 0.2540000E-01  0.3467000 
1 1 1 10 2  47 o 15.820  0.1533 -0.1780000     0.3066000 
1 1 1 10 2  48 o 2.6570  0.5919 1.499000       1.184000  
1 1 1 10 2  49 o 10.700  0.2031 0.5567000E-02  0.4062000 
1 1 1 10 2  50 o 11.130  0.1832 0.5189000      0.3664000 
1 1 1 10 2  51 o 6.4550  0.3209 0.1636000      0.6419000 
1 1 1 10 2  52 o 11.570  0.2131 -0.8884000     0.4262000 
1 1 1 10 2  53 f 10.930  0.1940 0.4597000      0.3880000 
1 1 1 10 2  54 o 7.3110  0.2463 0.5356000      0.4925000 
1 1 1 10 2  55 o 5.1570  0.3400 0.4759000E-01  0.6801000 
1 1 1 10 2  56 o 2.2450  0.5680 0.1343000      1.136000  
1 1 1 10 2  57 o 3.3280  0.4879 -0.3044000     0.9757000 
1 1 1 10 2  58 o 8.2690  0.1985 0.3539000      0.3970000 
1 1 1 10 2  59 o 3.5430  0.4840 0.3747000      0.9680000 
1 1 1 10 2  60 o 5.3760  0.3328 0.4963000E-01  0.6657000 
1 1 1 10 2  61 o 4.3870  0.4319 0.7818000      0.8639000 
1 1 1 10 2  62 o 3.9370  0.4141 -0.1804000     0.8282000 
1 1 1 10 2  63 o 6.8160  0.2652 -1.363000      0.5304000 
1 1 1 10 2  64 o 3.5850  0.4566 -0.5723000     0.9131000 
1 1 1 10 2  65 o 3.5100  0.4359 0.6300000      0.8719000 
1 1 1 10 2  66 o 4.5740  0.3492 -0.2560000     0.6983000 
1 1 1 10 2  67 o 5.4190  0.2945 1.097000       0.5889000 
1 1 1 10 2  68 o 6.7050  0.2615 1.331000       0.5230000 
1 1 1 10 2  69 o 2.9050  0.5606 0.6802000      1.121000  
1 1 1 10 2  70 o 6.6760  0.2832 0.7884000      0.5664000 
1 1 1 10 2  71 o 2.9850  0.6059 -1.128000      1.212000  
1 1 1 10 3  0  o 4.6910  0.2538 0.000000       0.000000  
1 1 1 10 3  1  o 2.6190  0.4574 0.5762000      0.9149000 
1 1 1 10 3  2  o 13.220  0.1266 0.1099000      0.2531000 
1 1 1 10 3  3  f 8.5800  0.1841 -0.3265000     0.3683000 
1 1 1 10 3  4  o 6.1050  0.1489 0.2821000      0.2978000 
1 1 1 10 3  5  o 17.720  0.1085 0.7265000E-01  0.2170000 
1 1 1 10 3  6  o 22.460  0.1196 0.1904000E-01  0.2391000 
1 1 1 10 3  7  o 5.1290  0.1689 -0.3021000     0.3379000 
1 1 1 10 3  8  o 8.4010  0.1222 -0.1040000     0.2445000 
1 1 1 10 3  9  o 12.550  0.1254 -0.4550000     0.2508000 
1 1 1 10 3  10 o 4.3710  0.2070 -0.3677000     0.4139000 
1 1 1 10 3  11 o 24.920  0.1456 -0.2427000     0.2912000 
1 1 1 10 3  12 o 8.8590  0.1466 0.3706000E-01  0.2931000 
1 1 1 10 3  13 f 12.640  0.1302 -0.2593000     0.2604000 
1 1 1 10 3  14 o 13.860  0.1299 -0.1079000     0.2598000 
1 1 1 10 3  15 o 8.2050  0.1812 -0.4899000     0.3623000 
1 1 1 10 3  16 o 12.270  0.1546 0.4138000      0.3092000 
1 1 1 10 3  17 o 4.5390  0.3052 -1.238000      0.6105000 
1 1 1 10 3  18 o 7.8870  0.1952 0.3459000E-01  0.3905000 
1 1 1 10 3  19 o 8.6190  0.1629 -0.6385000     0.3258000 
1 1 1 10 3  20 o 17.050  0.1362 0.3435000      0.2723000 
1 1 1 10 3  21 o 7.1670  0.1832 -0.8214000     0.3664000 
1 1 1 10 3  22 o 12.990  0.1199 0.2778000E-01  0.2398000 
1 1 1 10 3  23 o 12.370  0.1225 0.3658000      0.2451000 
1 1 1 10 3  24 o 7.0360  0.2048 -0.9583000     0.4097000 
1 1 1 10 3  25 o 6.3230  0.2014 0.4832000      0.4027000 
1 1 1 10 3  26 o 17.340  0.1053 0.1667000      0.2106000 
1 1 1 10 3  27 f 15.670  0.1215 0.3132000      0.2429000 
1 1 1 10 3  28 o 4.1220  0.2945 -0.6894000     0.5891000 
1 1 1 10 3  29 o 15.380  0.1116 0.4435000      0.2232000 
1 1 1 10 3  30 o 13.500  0.1228 -0.2301000     0.2456000 
1 1 1 10 3  31 o 13.510  0.1207 0.3950000      0.2414000 
1 1 1 10 3  32 o 10.600  0.1401 -0.5743000E-01 0.2801000 
1 1 1 10 3  33 o 13.930  0.1269 0.1266000      0.2537000 
1 1 1 10 3  34 o 5.1440  0.2643 -0.3396000     0.5287000 
1 1 1 10 3  35 o 9.5070  0.1645 0.3406000      0.3290000 
1 1 1 10 3  36 o 7.8910  0.1851 0.1688000      0.3702000 
1 1 1 10 3  37 o 11.600  0.1629 0.3222000      0.3257000 
1 1 1 10 3  38 o 11.910  0.1647 0.2872000      0.3294000 
1 1 1 10 3  39 o 24.560  0.1386 0.2331000      0.2772000 
1 1 1 10 3  40 o 11.290  0.1797 -0.2173000     0.3593000 
1 1 1 10 3  41 o 9.0940  0.2107 0.2140000      0.4215000 
1 1 1 10 3  42 o 13.550  0.1915 -0.3269000     0.3829000 
1 1 1 10 3  43 o 28.100  0.1378 0.8686000E-01  0.2757000 
1 1 1 10 3  44 o 7.9840  0.2414 0.1280000E-01  0.4828000 
1 1 1 10 3  45 o 17.730  0.1398 -0.4938000     0.2796000 
1 1 1 10 3  46 o 5.7030  0.3250 -0.4091000     0.6499000 
1 1 1 10 3  47 o 11.070  0.2020 -0.1770000     0.4040000 
1 1 1 10 3  48 o 14.820  0.1948 -0.1366000     0.3897000 
1 1 1 10 3  49 o 5.1490  0.3828 0.8951000      0.7656000 
1 1 1 10 3  50 o 5.2470  0.3836 0.2660000      0.7673000 
1 1 1 10 3  51 o 8.2920  0.2185 -0.2320000     0.4370000 
1 1 1 10 3  52 o 6.9600  0.2658 0.2438000      0.5315000 
1 1 1 10 3  53 o 3.2290  0.5298 1.108000       1.060000  
1 1 1 10 3  54 o 8.0260  0.2100 0.3588000      0.4200000 
1 1 1 10 3  55 o 7.2310  0.2312 0.2067000      0.4624000 
1 1 1 10 3  56 o 7.0980  0.2343 0.2998000E-01  0.4687000 
1 1 1 10 3  57 o 2.3160  0.5691 0.4371000      1.138000  
1 1 1 10 3  58 o 2.2120  0.5966 0.2320000E-02  1.193000  
1 1 1 10 3  59 o 5.0580  0.3470 -0.3288000     0.6939000 
1 1 1 10 3  60 o 9.7310  0.1774 -0.4220000E-01 0.3548000 
1 1 1 10 3  61 o 4.4070  0.3532 -0.2201000     0.7065000 
1 1 1 10 3  62 o 6.5380  0.2752 0.2441000      0.5503000 
1 1 1 10 3  63 o 5.2430  0.3409 0.3893000      0.6819000 
1 1 1 10 3  64 o 2.9060  0.4353 -2.844000      0.8706000 
1 1 1 10 3  65 o 7.3500  0.2521 -0.1800000E-02 0.5042000 
1 1 1 10 3  66 o 3.1740  0.5298 1.061000       1.060000  
1 1 1 10 3  67 o 2.9290  0.5740 0.3921000      1.148000  
1 1 1 10 3  68 o 2.2330  0.5990 -0.2171000     1.198000  
1 1 1 10 3  69 o 3.2250  0.5653 0.3782000E-01  1.131000  
1 1 1 10 3  70 o 6.9380  0.2570 0.1419000      0.5139000 
1 1 1 10 3  71 o 3.6320  0.5160 -0.7788000     1.032000  
1 1 1 10 4  0  o 18.100  0.1556 0.000000       0.000000  
1 1 1 10 4  1  o 24.690  0.1779 ?              ?         
1 1 1 10 4  2  o 9.7300  0.1585 ?              ?         
1 1 1 10 4  3  o 11.600  0.1508 ?              ?         
1 1 1 10 4  4  o 11.760  0.1245 -0.5953000E-01 0.2491000 
1 1 1 10 4  5  o 18.350  0.1105 -0.1215000     0.2209000 
1 1 1 10 4  6  o 11.200  0.1088 -0.2045000E-02 0.2176000 
1 1 1 10 4  7  o 3.2160  0.2682 -0.4485000     0.5364000 
1 1 1 10 4  8  o 8.5200  0.1426 0.1808000      0.2852000 
1 1 1 10 4  9  o 29.940  0.1630 0.1388000E-01  0.3259000 
1 1 1 10 4  10 o 12.350  0.1100 -0.7298000E-02 0.2201000 
1 1 1 10 4  11 o 15.980  0.1098 0.4423000      0.2196000 
1 1 1 10 4  12 o 16.600  0.1283 -0.9001000E-01 0.2567000 
1 1 1 10 4  13 o 4.3140  0.2539 -0.2249000     0.5077000 
1 1 1 10 4  14 o 9.8710  0.1461 -0.4593000     0.2923000 
1 1 1 10 4  15 o 10.650  0.1265 -0.2700000     0.2531000 
1 1 1 10 4  16 o 5.8320  0.1888 0.9499000E-01  0.3775000 
1 1 1 10 4  17 o 6.7920  0.2190 -0.4416000     0.4381000 
1 1 1 10 4  18 o 13.870  0.1424 -0.5857000E-01 0.2849000 
1 1 1 10 4  19 o 9.7620  0.1651 0.1164000      0.3302000 
1 1 1 10 4  20 o 12.090  0.1248 0.1684000      0.2497000 
1 1 1 10 4  21 o 12.180  0.1204 0.5252000E-01  0.2408000 
1 1 1 10 4  22 o 16.280  0.1079 0.1628000      0.2157000 
1 1 1 10 4  23 o 5.3130  0.2166 -0.3815000     0.4332000 
1 1 1 10 4  24 o 21.580  0.1298 -0.3664000E-01 0.2597000 
1 1 1 10 4  25 o 16.850  0.1121 0.1094000      0.2243000 
1 1 1 10 4  26 o 17.030  0.1212 0.5776000E-01  0.2424000 
1 1 1 10 4  27 o 4.7380  0.2156 -0.2666000     0.4312000 
1 1 1 10 4  28 o 8.8330  0.1328 0.3537000      0.2656000 
1 1 1 10 4  29 o 12.580  0.1157 0.2056000E-01  0.2314000 
1 1 1 10 4  30 o 12.750  0.1133 -0.3150000     0.2265000 
1 1 1 10 4  31 o 14.070  0.1187 0.5381000      0.2374000 
1 1 1 10 4  32 o 17.920  0.1503 -0.2111000E-01 0.3006000 
1 1 1 10 4  33 o 5.0540  0.2549 0.5422000      0.5098000 
1 1 1 10 4  34 f 9.4240  0.1580 1.580000       0.3160000 
1 1 1 10 4  35 o 9.9440  0.1517 -0.1741000     0.3034000 
1 1 1 10 4  36 o 28.490  0.1306 -0.3939000E-01 0.2612000 
1 1 1 10 4  37 o 6.2080  0.2374 0.3359000E-01  0.4748000 
1 1 1 10 4  38 o 28.180  0.1319 0.1765000      0.2638000 
1 1 1 10 4  39 o 9.9460  0.1719 0.6465000      0.3437000 
1 1 1 10 4  40 f 4.6120  0.4800 1.210000       0.9600000 
1 1 1 10 4  41 o 15.340  0.1550 0.2560000      0.3101000 
1 1 1 10 4  42 o 20.500  0.1323 0.1995000      0.2647000 
1 1 1 10 4  43 o 6.6140  0.3065 -0.8556000     0.6130000 
1 1 1 10 4  44 o 7.9870  0.3025 -0.8747000     0.6050000 
1 1 1 10 4  45 o 12.370  0.1921 0.8218000      0.3842000 
1 1 1 10 4  46 o 11.290  0.2283 -0.5098000     0.4565000 
1 1 1 10 4  47 o 12.870  0.2055 0.1970000      0.4110000 
1 1 1 10 4  48 o 9.2380  0.1868 0.4770000      0.3736000 
1 1 1 10 4  49 o 10.290  0.1860 -0.5431000     0.3720000 
1 1 1 10 4  50 o 13.060  0.1605 -0.2357000     0.3210000 
1 1 1 10 4  51 o 7.7820  0.2117 -0.4173000     0.4235000 
1 1 1 10 4  52 o 14.270  0.1413 0.2328000      0.2827000 
1 1 1 10 4  53 o 6.1550  0.2713 -0.3939000     0.5427000 
1 1 1 10 4  54 o 12.980  0.1583 0.3868000      0.3167000 
1 1 1 10 4  55 o 10.680  0.1685 -0.2523000     0.3370000 
1 1 1 10 4  56 o 4.7220  0.3477 -0.8087000     0.6955000 
1 1 1 10 4  57 f 2.1120  0.5556 0.4502000E-01  1.111000  
1 1 1 10 4  58 o 8.3850  0.2448 0.9478000      0.4897000 
1 1 1 10 4  59 o 12.060  0.1689 -0.7392000     0.3378000 
1 1 1 10 4  60 o 7.6230  0.2702 -0.5604000     0.5404000 
1 1 1 10 4  61 o 7.1730  0.2780 0.7616000      0.5560000 
1 1 1 10 4  62 o 5.8440  0.2822 -0.2164000     0.5644000 
1 1 1 10 4  63 o 2.5600  0.5931 -0.1033000     1.186000  
1 1 1 10 4  64 o 3.0410  0.5607 0.4928000      1.121000  
1 1 1 10 4  65 o 9.3010  0.2301 -0.5881000E-02 0.4601000 
1 1 1 10 4  66 o 4.9960  0.3652 -1.150000      0.7304000 
1 1 1 10 4  67 o 4.8160  0.4271 -0.3664000     0.8542000 
1 1 1 10 4  68 o 6.6030  0.2918 0.3356000E-01  0.5835000 
1 1 1 10 4  69 o 5.6320  0.3284 0.6031000      0.6567000 
1 1 1 10 4  70 o 3.2070  0.5585 -1.339000      1.117000  
1 1 1 10 4  71 o 4.5930  0.4316 0.8158000      0.8632000 
1 1 1 10 5  0  o 6.5730  0.2265 0.000000       0.000000  
1 1 1 10 5  1  o 28.840  0.2354 ?              ?         
1 1 1 10 5  2  o 33.600  0.2209 ?              ?         
1 1 1 10 5  3  o 24.700  0.1798 0.1449000      0.3596000 
1 1 1 10 5  4  o 21.840  0.1306 0.1229000E-01  0.2613000 
1 1 1 10 5  5  o 7.7380  0.1384 0.3987000      0.2768000 
1 1 1 10 5  6  o 11.560  0.1285 0.5465000E-03  0.2570000 
1 1 1 10 5  7  o 5.7000  0.1620 0.4569000      0.3239000 
1 1 1 10 5  8  o 30.220  0.1645 0.2192000      0.3290000 
1 1 1 10 5  9  o 6.1060  0.1548 0.2230000      0.3096000 
1 1 1 10 5  10 o 15.020  0.1285 0.8351000E-01  0.2570000 
1 1 1 10 5  11 o 29.540  0.1430 0.5690000E-02  0.2860000 
1 1 1 10 5  12 o 5.5820  0.1679 -0.3946000     0.3358000 
1 1 1 10 5  13 o 14.460  0.1102 -0.2722000     0.2205000 
1 1 1 10 5  14 o 6.2290  0.1602 -0.1460000E-01 0.3203000 
1 1 1 10 5  15 f 11.840  0.1145 0.3331000      0.2289000 
1 1 1 10 5  16 o 11.860  0.1248 0.1433000      0.2497000 
1 1 1 10 5  17 o 10.010  0.1256 0.3435000E-01  0.2512000 
1 1 1 10 5  18 o 5.1370  0.2230 0.2349000      0.4459000 
1 1 1 10 5  19 o 2.0160  0.3954 1.375000       0.7908000 
1 1 1 10 5  20 o 12.230  0.1107 -0.3749000     0.2213000 
1 1 1 10 5  21 o 5.3180  0.1898 0.4000000      0.3796000 
1 1 1 10 5  22 o 7.2290  0.1644 -0.4074000     0.3289000 
1 1 1 10 5  23 o 11.830  0.1289 -0.4761000     0.2579000 
1 1 1 10 5  24 o 20.430  0.1144 -0.1984000     0.2289000 
1 1 1 10 5  25 o 2.2990  0.4262 -1.615000      0.8524000 
1 1 1 10 5  26 f 10.990  0.1363 0.1877000      0.2725000 
1 1 1 10 5  27 o 8.6770  0.1729 0.7515000      0.3459000 
1 1 1 10 5  28 o 17.170  0.1075 0.8709000E-02  0.2150000 
1 1 1 10 5  29 o 17.030  0.1099 -0.1263000     0.2199000 
1 1 1 10 5  30 o 21.810  0.1175 0.1906000      0.2351000 
1 1 1 10 5  31 o 30.050  0.1442 -0.1045000     0.2884000 
1 1 1 10 5  32 o 8.5150  0.1596 -0.5967000     0.3192000 
1 1 1 10 5  33 o 21.840  0.1239 0.1759000      0.2477000 
1 1 1 10 5  34 o 5.2140  0.2476 0.5369000      0.4953000 
1 1 1 10 5  35 o 27.410  0.1275 -0.7449000E-01 0.2551000 
1 1 1 10 5  36 o 33.430  0.1416 -0.2675000     0.2833000 
1 1 1 10 5  37 f 22.420  0.1238 0.3796000      0.2476000 
1 1 1 10 5  38 o 19.580  0.1249 0.1920000      0.2497000 
1 1 1 10 5  39 o 31.310  0.1396 0.1131000      0.2791000 
1 1 1 10 5  40 f 23.710  0.1296 0.3666000      0.2592000 
1 1 1 10 5  41 o 11.360  0.1635 0.2629000      0.3269000 
1 1 1 10 5  42 o 27.850  0.1605 0.6631000      0.3210000 
1 1 1 10 5  43 o 20.360  0.1593 0.3198000      0.3186000 
1 1 1 10 5  44 o 13.550  0.1760 -0.6554000     0.3520000 
1 1 1 10 5  45 o 15.540  0.1555 0.3377000      0.3111000 
1 1 1 10 5  46 o 7.9820  0.2485 -0.2238000     0.4970000 
1 1 1 10 5  47 o 13.730  0.1567 -0.2255000     0.3133000 
1 1 1 10 5  48 o 4.4010  0.3936 -1.393000      0.7872000 
1 1 1 10 5  49 o 2.8640  0.5231 0.9867000      1.046000  
1 1 1 10 5  50 o 11.240  0.1694 0.1627000      0.3389000 
1 1 1 10 5  51 o 12.450  0.1588 -0.3205000     0.3176000 
1 1 1 10 5  52 o 12.680  0.1573 -0.3974000     0.3145000 
1 1 1 10 5  53 o 9.2720  0.1917 -0.7916000E-01 0.3835000 
1 1 1 10 5  54 o 3.9250  0.4393 0.3624000      0.8786000 
1 1 1 10 5  55 o 16.760  0.1774 -0.2516000E-02 0.3549000 
1 1 1 10 5  56 o 4.5410  0.3716 0.5464000      0.7432000 
1 1 1 10 5  57 o 10.520  0.1891 0.4859000      0.3782000 
1 1 1 10 5  58 o 6.9380  0.2531 0.2912000      0.5062000 
1 1 1 10 5  59 o 7.4430  0.2327 0.8117000      0.4654000 
1 1 1 10 5  60 o 6.2230  0.2713 -0.5798000     0.5426000 
1 1 1 10 5  61 o 4.9770  0.3330 0.2402000      0.6661000 
1 1 1 10 5  62 o 4.9020  0.4108 -0.2410000     0.8216000 
1 1 1 10 5  63 o 8.1040  0.2654 -0.3020000     0.5309000 
1 1 1 10 5  64 o 1.7680  0.5546 0.6578000      1.109000  
1 1 1 10 5  65 o 5.1620  0.4344 -0.4479000E-01 0.8688000 
1 1 1 10 5  66 o 5.9930  0.3878 0.1041000      0.7757000 
1 1 1 10 5  67 o 3.1840  0.5996 0.3734000      1.199000  
1 1 1 10 5  68 o 2.5540  0.5478 -1.920000      1.096000  
1 1 1 10 5  69 o 8.2860  0.2581 -0.5937000     0.5161000 
1 1 1 10 5  70 o 2.8300  0.5966 -0.4699000     1.193000  
1 1 1 10 5  71 o 4.2630  0.5312 1.776000       1.062000  
1 1 1 10 6  0  o 20.240  0.2692 0.000000       0.000000  
1 1 1 10 6  1  f 14.560  0.1273 -0.7674000E-01 0.2546000 
1 1 1 10 6  2  o 16.500  0.1662 -0.1466000     0.3324000 
1 1 1 10 6  3  o 12.070  0.1343 0.2859000      0.2685000 
1 1 1 10 6  4  o 4.7110  0.1898 -0.2372000     0.3796000 
1 1 1 10 6  5  o 9.1260  0.1433 0.1198000      0.2865000 
1 1 1 10 6  6  o 20.410  0.1342 0.2307000E-01  0.2684000 
1 1 1 10 6  7  o 2.4000  0.3701 0.2416000      0.7402000 
1 1 1 10 6  8  o 9.4300  0.1122 -0.2752000E-01 0.2244000 
1 1 1 10 6  9  o 9.7180  0.1121 0.1700000      0.2241000 
1 1 1 10 6  10 o 26.050  0.1246 -0.1804000     0.2492000 
1 1 1 10 6  11 o 13.500  0.1039 0.1442000      0.2077000 
1 1 1 10 6  12 o 11.420  0.1065 -0.1536000     0.2130000 
1 1 1 10 6  13 o 10.510  0.1098 -0.3369000     0.2197000 
1 1 1 10 6  14 o 10.210  0.1080 0.1965000      0.2161000 
1 1 1 10 6  15 o 9.9060  0.1098 -0.7112000E-01 0.2197000 
1 1 1 10 6  16 o 11.430  0.1183 -0.7889000E-01 0.2366000 
1 1 1 10 6  17 o 7.5910  0.1491 0.1309000      0.2983000 
1 1 1 10 6  18 o 8.1300  0.1423 0.2988000      0.2846000 
1 1 1 10 6  19 o 11.220  0.1180 0.7052000E-01  0.2359000 
1 1 1 10 6  20 o 10.920  0.1221 -0.6491000E-01 0.2442000 
1 1 1 10 6  21 o 10.450  0.1271 0.1217000      0.2542000 
1 1 1 10 6  22 o 15.130  0.1556 0.1699000      0.3111000 
1 1 1 10 6  23 o 17.580  0.1120 -0.2907000     0.2239000 
1 1 1 10 6  24 o 8.7350  0.1449 -0.4254000     0.2897000 
1 1 1 10 6  25 o 14.350  0.1246 0.5253000      0.2492000 
1 1 1 10 6  26 o 10.950  0.1299 -0.3908000E-01 0.2597000 
1 1 1 10 6  27 o 14.420  0.1315 -0.1597000E-01 0.2631000 
1 1 1 10 6  28 o 7.3920  0.2005 0.2984000      0.4009000 
1 1 1 10 6  29 o 17.820  0.1104 0.4001000      0.2207000 
1 1 1 10 6  30 o 32.540  0.1677 0.3534000      0.3354000 
1 1 1 10 6  31 f 11.520  0.1244 -0.7685000E-01 0.2488000 
1 1 1 10 6  32 o 14.170  0.1206 0.3509000      0.2411000 
1 1 1 10 6  33 o 12.470  0.1291 0.1307000      0.2582000 
1 1 1 10 6  34 o 3.6470  0.3523 -0.1000000     0.7047000 
1 1 1 10 6  35 o 24.500  0.1240 -0.2119000     0.2480000 
1 1 1 10 6  36 o 15.080  0.1474 0.7385000      0.2948000 
1 1 1 10 6  37 o 8.0170  0.2274 -0.3571000     0.4547000 
1 1 1 10 6  38 o 7.2310  0.2609 -0.7595000     0.5217000 
1 1 1 10 6  39 o 18.800  0.1743 -0.1578000     0.3486000 
1 1 1 10 6  40 o 2.8600  0.6262 1.842000       1.252000  
1 1 1 10 6  41 o 10.130  0.2440 0.4309000      0.4879000 
1 1 1 10 6  42 o 8.3770  0.2801 1.609000       0.5602000 
1 1 1 10 6  43 o 5.4450  0.3204 -0.5646000     0.6408000 
1 1 1 10 6  44 o 5.7550  0.5342 2.746000       1.068000  
1 1 1 10 6  45 o 21.640  0.1752 0.5168000      0.3504000 
1 1 1 10 6  46 o 19.470  0.1416 -0.2102000     0.2832000 
1 1 1 10 6  47 o 5.4130  0.3398 0.6771000      0.6795000 
1 1 1 10 6  48 o 12.630  0.1704 0.4796000      0.3409000 
1 1 1 10 6  49 o 5.0120  0.3351 0.7258000      0.6703000 
1 1 1 10 6  50 o 9.7340  0.1869 -0.1267000     0.3738000 
1 1 1 10 6  51 f 3.6420  0.4589 -0.4590000     0.9177000 
1 1 1 10 6  52 o 7.6530  0.2192 -0.5435000     0.4384000 
1 1 1 10 6  53 o 4.1660  0.3987 1.310000       0.7974000 
1 1 1 10 6  54 o 5.4320  0.3858 -0.4663000     0.7716000 
1 1 1 10 6  55 o 4.3640  0.4579 0.5403000      0.9159000 
1 1 1 10 6  56 o 7.4420  0.2299 0.8564000E-01  0.4597000 
1 1 1 10 6  57 o 5.2500  0.3220 0.3401000      0.6440000 
1 1 1 10 6  58 o 7.5420  0.2355 0.2344000      0.4711000 
1 1 1 10 6  59 o 5.3450  0.3081 0.2934000      0.6161000 
1 1 1 10 6  60 o 4.3220  0.3767 -0.8524000E-01 0.7534000 
1 1 1 10 6  61 o 4.2490  0.3871 0.6918000E-01  0.7741000 
1 1 1 10 6  62 o 3.2990  0.4994 -0.6321000     0.9987000 
1 1 1 10 6  63 f 2.7860  0.5396 1.068000       1.079000  
1 1 1 10 6  64 o 5.7520  0.3199 -0.7823000     0.6397000 
1 1 1 10 6  65 o 6.9380  0.3800 0.1056000      0.7601000 
1 1 1 10 6  66 o 2.2300  0.7060 0.8766000      1.412000  
1 1 1 10 6  67 o 1.7290  0.5575 -0.3268000     1.115000  
1 1 1 10 6  68 o 6.9410  0.3418 0.7167000      0.6837000 
1 1 1 10 6  69 o 3.8010  0.5083 -0.3318000     1.017000  
1 1 1 10 6  70 o 2.0200  0.5839 -0.2702000     1.168000  
1 1 1 10 7  0  o 28.140  0.2363 0.000000       0.000000  
1 1 1 10 7  1  o 5.3370  0.2053 -0.1341000E-01 0.4106000 
1 1 1 10 7  2  o 11.930  0.1351 0.4270000      0.2701000 
1 1 1 10 7  3  o 5.6690  0.2520 -0.3616000     0.5039000 
1 1 1 10 7  4  o 2.9050  0.4012 1.100000       0.8024000 
1 1 1 10 7  5  o 9.3560  0.1411 0.2311000      0.2821000 
1 1 1 10 7  6  o 8.4560  0.1180 0.1507000      0.2361000 
1 1 1 10 7  7  o 26.200  0.1238 0.1586000      0.2476000 
1 1 1 10 7  8  o 12.150  0.1029 -0.2231000     0.2057000 
1 1 1 10 7  9  o 10.490  0.1073 0.2081000      0.2146000 
1 1 1 10 7  10 o 14.160  0.0956 -0.1558000     0.1911000 
1 1 1 10 7  11 o 20.790  0.1029 0.2149000      0.2059000 
1 1 1 10 7  12 o 12.240  0.0964 0.1794000      0.1929000 
1 1 1 10 7  13 o 5.9660  0.1327 0.6287000      0.2654000 
1 1 1 10 7  14 o 15.730  0.1016 0.3732000E-01  0.2032000 
1 1 1 10 7  15 o 13.380  0.1021 -0.6687000E-01 0.2043000 
1 1 1 10 7  16 o 18.010  0.1047 -0.3087000     0.2094000 
1 1 1 10 7  17 o 24.620  0.1271 0.1387000      0.2542000 
1 1 1 10 7  18 o 10.130  0.1261 -0.2230000     0.2522000 
1 1 1 10 7  19 o 1.4000  0.4133 -0.5924000     0.8267000 
1 1 1 10 7  20 o 16.570  0.1275 0.3592000      0.2551000 
1 1 1 10 7  21 o 23.880  0.1561 0.2906000E-01  0.3123000 
1 1 1 10 7  22 o 4.7120  0.2334 -0.1965000     0.4668000 
1 1 1 10 7  23 o 10.110  0.1442 -0.3895000     0.2883000 
1 1 1 10 7  24 o 9.6590  0.1524 0.3921000      0.3049000 
1 1 1 10 7  25 o 12.290  0.1525 0.2325000      0.3050000 
1 1 1 10 7  26 o 7.8730  0.2063 0.5062000      0.4126000 
1 1 1 10 7  27 o 23.170  0.1514 0.4075000      0.3028000 
1 1 1 10 7  28 o 12.430  0.1721 0.2601000      0.3442000 
1 1 1 10 7  29 o 21.190  0.1702 -0.8664000     0.3405000 
1 1 1 10 7  30 o 6.0140  0.2395 -0.3642000E-01 0.4791000 
1 1 1 10 7  31 o 8.8560  0.2068 -0.5010000     0.4136000 
1 1 1 10 7  32 o 16.030  0.1571 0.6028000      0.3142000 
1 1 1 10 7  33 o 20.590  0.1556 0.6139000      0.3113000 
1 1 1 10 7  34 o 3.1060  0.4945 0.6441000      0.9891000 
1 1 1 10 7  35 f 14.890  0.1491 0.4536000      0.2983000 
1 1 1 10 7  36 o 9.1590  0.2458 -0.8156000E-01 0.4916000 
1 1 1 10 7  37 o 9.2580  0.1697 -0.3466000     0.3395000 
1 1 1 10 7  38 o 3.9570  0.3755 0.1523000      0.7511000 
1 1 1 10 7  39 o 10.530  0.1558 0.2587000      0.3116000 
1 1 1 10 7  40 o 17.270  0.1336 0.2771000      0.2673000 
1 1 1 10 7  41 o 17.790  0.1350 0.4120000E-03  0.2700000 
1 1 1 10 7  42 o 4.1910  0.4121 1.054000       0.8241000 
1 1 1 10 7  43 o 17.860  0.1862 0.1908000      0.3725000 
1 1 1 10 7  44 o 15.730  0.1902 1.010000       0.3804000 
1 1 1 10 7  45 o 5.1850  0.3287 -0.3108000     0.6574000 
1 1 1 10 7  46 o 18.880  0.1652 0.1714000      0.3303000 
1 1 1 10 7  47 o 4.4770  0.4541 0.4787000      0.9082000 
1 1 1 10 7  48 o 10.640  0.1850 -0.8845000E-01 0.3700000 
1 1 1 10 7  49 o 5.9260  0.2919 -0.3524000E-01 0.5838000 
1 1 1 10 7  50 o 11.060  0.1743 -0.3640000     0.3487000 
1 1 1 10 7  51 o 8.0860  0.2112 0.1259000      0.4225000 
1 1 1 10 7  52 o 10.350  0.1773 0.2275000      0.3545000 
1 1 1 10 7  53 o 9.6040  0.2147 -0.2933000E-01 0.4294000 
1 1 1 10 7  54 o 11.820  0.1950 -0.1250000     0.3899000 
1 1 1 10 7  55 o 8.4200  0.2139 0.4469000      0.4278000 
1 1 1 10 7  56 o 9.5240  0.1949 -0.5158000     0.3898000 
1 1 1 10 7  57 o 5.2220  0.3094 -0.6748000E-01 0.6187000 
1 1 1 10 7  58 o 7.7360  0.2272 0.3426000      0.4545000 
1 1 1 10 7  59 o 2.9920  0.5332 0.7433000      1.066000  
1 1 1 10 7  60 o 7.4040  0.2299 -0.3412000     0.4597000 
1 1 1 10 7  61 o 5.5990  0.2928 0.7346000      0.5857000 
1 1 1 10 7  62 o 5.2920  0.3128 -0.4658000E-01 0.6256000 
1 1 1 10 7  63 o 4.1570  0.5149 -1.487000      1.030000  
1 1 1 10 7  64 o 2.7110  0.6296 0.2817000      1.259000  
1 1 1 10 7  65 f 2.3550  0.5841 -0.4827000     1.168000  
1 1 1 10 7  66 o 2.1890  0.5905 0.9048000E-01  1.181000  
1 1 1 10 7  67 o 1.9380  0.5903 -0.1630000     1.181000  
1 1 1 10 7  68 o 1.8140  0.5942 0.8794000      1.188000  
1 1 1 10 7  69 o 5.3890  0.4133 0.6526000      0.8266000 
1 1 1 10 7  70 o 3.5620  0.6523 0.4029000E-01  1.305000  
1 1 1 10 8  0  o 4.6000  0.3423 0.000000       0.000000  
1 1 1 10 8  1  o 6.8280  0.1514 -0.9569000E-01 0.3029000 
1 1 1 10 8  2  o 8.2200  0.1446 0.4661000      0.2891000 
1 1 1 10 8  3  o 3.1130  0.3148 -0.9854000E-01 0.6296000 
1 1 1 10 8  4  o 11.850  0.1332 0.6475000E-03  0.2664000 
1 1 1 10 8  5  o 18.280  0.1074 0.1363000      0.2147000 
1 1 1 10 8  6  f 9.9050  0.1125 0.1528000E-02  0.2250000 
1 1 1 10 8  7  o 19.410  0.1050 0.3040000      0.2099000 
1 1 1 10 8  8  f 1.4680  0.3914 -0.4476000     0.7828000 
1 1 1 10 8  9  o 1.3430  0.3734 0.3306000      0.7468000 
1 1 1 10 8  10 o 13.780  0.1000 -0.4617000E-01 0.1999000 
1 1 1 10 8  11 o 6.5270  0.1388 0.6606000      0.2777000 
1 1 1 10 8  12 o 15.110  0.0947 -0.2607000E-01 0.1894000 
1 1 1 10 8  13 o 7.1030  0.1170 -0.4161000     0.2340000 
1 1 1 10 8  14 o 1.9750  0.3530 0.3547000      0.7061000 
1 1 1 10 8  15 o 11.060  0.1040 0.5575000E-01  0.2081000 
1 1 1 10 8  16 o 17.640  0.1120 0.5813000E-01  0.2241000 
1 1 1 10 8  17 o 16.910  0.0994 0.2738000      0.1988000 
1 1 1 10 8  18 o 14.790  0.1099 0.6749000E-01  0.2197000 
1 1 1 10 8  19 o 25.910  0.1362 -0.1773000E-01 0.2724000 
1 1 1 10 8  20 o 3.3780  0.4297 -0.2165000     0.8594000 
1 1 1 10 8  21 o 21.580  0.1191 0.4017000      0.2383000 
1 1 1 10 8  22 o 11.440  0.1546 -0.1046000     0.3093000 
1 1 1 10 8  23 o 10.310  0.1773 0.7779000      0.3545000 
1 1 1 10 8  24 o 12.980  0.1227 0.6163000      0.2454000 
1 1 1 10 8  25 o 35.820  0.1470 0.4995000      0.2939000 
1 1 1 10 8  26 o 7.3200  0.2018 -0.1701000E-01 0.4035000 
1 1 1 10 8  27 o 6.4120  0.2835 -0.1083000     0.5670000 
1 1 1 10 8  28 o 20.030  0.1572 0.3689000      0.3144000 
1 1 1 10 8  29 o 9.5860  0.1891 -0.2015000     0.3781000 
1 1 1 10 8  30 o 10.430  0.1965 -0.1415000E-01 0.3930000 
1 1 1 10 8  31 o 17.560  0.1435 -0.4490000     0.2869000 
1 1 1 10 8  32 o 27.330  0.1733 -0.1272000E-01 0.3466000 
1 1 1 10 8  33 o 20.060  0.1188 -0.8484000E-02 0.2376000 
1 1 1 10 8  34 o 21.010  0.1209 0.2324000      0.2418000 
1 1 1 10 8  35 o 24.030  0.1256 0.3402000      0.2512000 
1 1 1 10 8  36 o 26.780  0.1243 0.7636000      0.2486000 
1 1 1 10 8  37 o 32.370  0.1427 0.1538000      0.2854000 
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1 1 1 10 8  39 o 12.090  0.1411 0.2121000E-01  0.2822000 
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1 1 1 10 8  70 o 1.8890  0.9281 ?              ?         
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1 1 1 10 9  4  o 10.300  0.1293 -0.3429000E-01 0.2585000 
1 1 1 10 9  5  o 6.0710  0.1819 0.8017000      0.3638000 
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1 1 1 10 9  28 o 8.4990  0.1794 -0.2183000     0.3588000 
1 1 1 10 9  29 o 13.500  0.1266 -0.3177000E-01 0.2533000 
1 1 1 10 9  30 o 19.420  0.1350 -0.3464000     0.2699000 
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1 1 1 10 9  32 o 8.4860  0.1967 1.124000       0.3935000 
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1 1 1 10 9  34 o 8.6960  0.1336 0.2605000      0.2672000 
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1 1 1 10 9  37 o 15.510  0.1182 0.1985000      0.2364000 
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1 1 1 10 9  42 o 14.710  0.1317 0.8366000E-01  0.2633000 
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1 1 1 10 9  63 o 4.4540  0.4166 0.5107000      0.8333000 
1 1 1 10 9  64 o 6.8500  0.2697 0.3936000      0.5393000 
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1 1 1 10 9  68 o 5.4530  0.3665 0.3836000E-01  0.7330000 
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1 1 1 11 0  14 o 6.9990  0.2849 0.000000       0.000000  
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1 1 1 11 0  16 o 3.4510  0.6057 0.000000       0.000000  
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1 1 1 11 0  18 o 16.050  0.2162 0.000000       0.000000  
1 1 1 11 0  19 o 21.850  0.1813 0.000000       0.000000  
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1 1 1 11 0  24 o 20.090  0.2244 0.000000       0.000000  
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1 1 1 11 0  33 o 28.980  0.2252 0.000000       0.000000  
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1 1 1 11 1  3  o 20.410  0.1115 -0.5588000E-01 0.2230000 
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1 1 1 11 1  5  o 8.0490  0.1443 -0.2113000     0.2885000 
1 1 1 11 1  6  o 15.460  0.1059 0.3153000E-01  0.2117000 
1 1 1 11 1  7  o 17.690  0.1151 -0.2181000     0.2303000 
1 1 1 11 1  8  o 18.270  0.1296 0.1744000E-01  0.2592000 
1 1 1 11 1  9  o 10.500  0.2081 ?              ?         
1 1 1 11 1  10 o 15.580  0.1288 -0.9308000E-01 0.2577000 
1 1 1 11 1  11 o 5.9440  0.2170 0.2335000      0.4340000 
1 1 1 11 1  12 o 8.0790  0.1757 -0.9844000E-02 0.3515000 
1 1 1 11 1  13 o 6.4860  0.2089 0.5507000      0.4179000 
1 1 1 11 1  14 o 23.850  0.1606 -0.3539000E-01 0.3212000 
1 1 1 11 1  15 o 9.3520  0.1700 -0.8280000E-01 0.3401000 
1 1 1 11 1  16 o 9.8790  0.1679 0.2445000E-01  0.3358000 
1 1 1 11 1  17 o 18.210  0.1515 0.2588000E-01  0.3030000 
1 1 1 11 1  18 o 30.110  0.1689 -0.3389000     0.3377000 
1 1 1 11 1  19 f 8.8770  0.1515 -0.4311000E-01 0.3031000 
1 1 1 11 1  20 o 1.7830  0.4678 -0.3563000     0.9356000 
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1 1 1 11 1  22 o 15.040  0.1257 0.4201000E-02  0.2514000 
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1 1 1 11 1  30 o 12.160  0.1739 -0.2246000     0.3478000 
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1 1 1 11 1  32 o 10.040  0.1699 0.2337000      0.3398000 
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1 1 1 11 1  41 o 9.2680  0.2112 -0.4388000     0.4224000 
1 1 1 11 1  42 o 4.3660  0.4253 1.107000       0.8506000 
1 1 1 11 1  43 o 9.8270  0.1928 -0.5444000     0.3855000 
1 1 1 11 1  44 o 9.5180  0.1927 -0.4846000     0.3854000 
1 1 1 11 1  45 o 16.090  0.1441 0.3767000      0.2881000 
1 1 1 11 1  46 o 10.060  0.2010 0.5102000E-03  0.4020000 
1 1 1 11 1  47 o 19.920  0.1559 0.5238000      0.3118000 
1 1 1 11 1  48 o 8.1260  0.2486 -0.1749000     0.4972000 
1 1 1 11 1  49 o 13.260  0.1708 -0.1473000     0.3416000 
1 1 1 11 1  50 o 5.2130  0.3927 1.202000       0.7855000 
1 1 1 11 1  51 o 4.9070  0.3780 1.024000       0.7560000 
1 1 1 11 1  52 o 9.3180  0.2150 -0.3996000     0.4300000 
1 1 1 11 1  53 o 12.620  0.1634 -0.2161000     0.3268000 
1 1 1 11 1  54 o 3.9490  0.4575 1.542000       0.9150000 
1 1 1 11 1  55 f 10.520  0.1883 0.7310000      0.3766000 
1 1 1 11 1  56 o 2.2150  0.5411 -0.8981000     1.082000  
1 1 1 11 1  57 o 9.8100  0.1976 -0.5892000E-02 0.3953000 
1 1 1 11 1  58 o 3.2270  0.5832 0.1950000E-01  1.166000  
1 1 1 11 1  59 o 6.3890  0.2871 -0.8723000     0.5743000 
1 1 1 11 1  60 o 5.6980  0.3392 0.4491000      0.6784000 
1 1 1 11 1  61 o 6.9430  0.2927 0.1634000      0.5853000 
1 1 1 11 1  62 o 2.8630  0.5536 -0.7017000     1.107000  
1 1 1 11 1  63 o 7.1590  0.2366 0.2852000      0.4732000 
1 1 1 11 1  64 o 3.1480  0.4705 1.910000       0.9410000 
1 1 1 11 1  65 o 2.8440  0.5280 0.1929000      1.056000  
1 1 1 11 1  66 o 7.2410  0.2201 -0.1013000     0.4402000 
1 1 1 11 1  67 o 10.580  0.1782 0.6021000      0.3564000 
1 1 1 11 1  68 o 7.5870  0.2343 0.4175000      0.4686000 
1 1 1 11 1  69 o 8.0560  0.2369 -0.2896000     0.4738000 
1 1 1 11 1  70 o 2.5140  0.5590 -1.015000      1.118000  
1 1 1 11 1  71 o 2.3420  0.5946 -0.7427000     1.189000  
1 1 1 11 2  0  o 13.770  0.1401 0.000000       0.000000  
1 1 1 11 2  1  o 23.690  0.1282 -0.6680000E-01 0.2564000 
1 1 1 11 2  2  o 16.220  0.1198 -0.1608000     0.2397000 
1 1 1 11 2  3  o 21.630  0.1285 -0.2141000     0.2570000 
1 1 1 11 2  4  o 14.050  0.1051 -0.1351000E-01 0.2102000 
1 1 1 11 2  5  o 30.800  0.1476 0.2310000      0.2953000 
1 1 1 11 2  6  o 8.4870  0.1473 0.1271000      0.2946000 
1 1 1 11 2  7  o 5.6810  0.1922 -0.7184000     0.3844000 
1 1 1 11 2  8  o 9.4790  0.1421 0.4355000      0.2842000 
1 1 1 11 2  9  o 13.620  0.1291 -0.7004000     0.2581000 
1 1 1 11 2  10 o 26.860  0.1684 -0.2457000     0.3369000 
1 1 1 11 2  11 o 13.710  0.1307 -0.2265000     0.2615000 
1 1 1 11 2  12 o 14.100  0.1317 -0.1303000E-02 0.2634000 
1 1 1 11 2  13 o 18.920  0.1348 -0.1990000     0.2697000 
1 1 1 11 2  14 o 15.890  0.1475 -0.5629000E-01 0.2950000 
1 1 1 11 2  15 o 13.420  0.1514 0.1396000      0.3027000 
1 1 1 11 2  16 o 10.810  0.1627 -0.2264000     0.3254000 
1 1 1 11 2  17 o 11.330  0.1627 -0.1912000     0.3253000 
1 1 1 11 2  18 o 5.8300  0.2371 0.7582000      0.4743000 
1 1 1 11 2  19 o 9.5960  0.1844 -0.2692000     0.3688000 
1 1 1 11 2  20 o 9.7550  0.1632 -0.5339000E-01 0.3263000 
1 1 1 11 2  21 o 10.810  0.1582 -0.2697000     0.3164000 
1 1 1 11 2  22 o 9.6440  0.1710 -0.4802000     0.3421000 
1 1 1 11 2  23 o 10.350  0.1793 -0.1857000     0.3586000 
1 1 1 11 2  24 f 7.3760  0.2990 -0.4020000     0.5979000 
1 1 1 11 2  25 o 10.390  0.2402 0.2118000      0.4803000 
1 1 1 11 2  26 o 14.100  0.1807 -0.1450000     0.3613000 
1 1 1 11 2  27 o 12.630  0.1489 -0.2019000     0.2979000 
1 1 1 11 2  28 o 5.4850  0.2214 0.1775000      0.4427000 
1 1 1 11 2  29 o 19.910  0.1362 -0.2880000     0.2723000 
1 1 1 11 2  30 o 16.100  0.1171 0.1993000      0.2341000 
1 1 1 11 2  31 o 6.7000  0.2285 0.2342000      0.4571000 
1 1 1 11 2  32 o 25.210  0.1263 0.7719000E-01  0.2527000 
1 1 1 11 2  33 o 24.130  0.1254 -0.1619000E-01 0.2509000 
1 1 1 11 2  34 o 9.6110  0.1869 -0.3043000     0.3737000 
1 1 1 11 2  35 o 5.7320  0.2928 -0.3946000     0.5857000 
1 1 1 11 2  36 o 13.310  0.1856 0.4386000      0.3713000 
1 1 1 11 2  37 o 8.1190  0.2022 -0.3405000E-01 0.4045000 
1 1 1 11 2  38 o 11.010  0.1953 -0.6090000     0.3907000 
1 1 1 11 2  39 o 9.7050  0.2060 0.5114000      0.4120000 
1 1 1 11 2  40 o 11.990  0.1746 -0.4212000E-01 0.3492000 
1 1 1 11 2  41 o 5.4890  0.2977 -0.2312000     0.5953000 
1 1 1 11 2  42 o 5.6530  0.3276 -0.5928000     0.6552000 
1 1 1 11 2  43 o 14.520  0.1484 -0.2705000     0.2969000 
1 1 1 11 2  44 o 8.6930  0.2256 -0.1877000E-01 0.4511000 
1 1 1 11 2  45 o 7.8920  0.2416 0.3439000      0.4832000 
1 1 1 11 2  46 o 10.850  0.2037 -0.9353000E-01 0.4073000 
1 1 1 11 2  47 o 15.190  0.1648 -0.2738000E-01 0.3296000 
1 1 1 11 2  48 o 12.520  0.1687 0.3625000      0.3374000 
1 1 1 11 2  49 o 5.3270  0.3730 0.3508000      0.7461000 
1 1 1 11 2  50 o 7.1770  0.2810 0.4492000      0.5620000 
1 1 1 11 2  51 o 2.9660  0.6135 -0.6243000     1.227000  
1 1 1 11 2  52 o 10.260  0.2293 0.7130000      0.4586000 
1 1 1 11 2  53 o 5.6960  0.3690 0.9215000      0.7379000 
1 1 1 11 2  54 o 17.340  0.1599 -0.1845000     0.3199000 
1 1 1 11 2  55 o 3.4310  0.5250 -0.3033000     1.050000  
1 1 1 11 2  56 o 12.740  0.1745 -0.1498000     0.3491000 
1 1 1 11 2  57 f 14.960  0.1616 0.2888000      0.3233000 
1 1 1 11 2  58 o 8.4490  0.1970 0.2464000      0.3939000 
1 1 1 11 2  59 o 2.3900  0.5726 -0.3421000     1.145000  
1 1 1 11 2  60 o 11.930  0.1578 -0.1300000     0.3157000 
1 1 1 11 2  61 o 3.1390  0.5348 -0.3266000     1.070000  
1 1 1 11 2  62 o 1.8230  0.5348 0.3288000      1.070000  
1 1 1 11 2  63 o 2.8640  0.4817 -2.269000      0.9634000 
1 1 1 11 2  64 f 3.9170  0.4205 0.5174000      0.8410000 
1 1 1 11 2  65 o 5.5260  0.3188 1.876000       0.6376000 
1 1 1 11 2  66 o 2.3350  0.5762 -0.1938000     1.152000  
1 1 1 11 2  67 o 7.2390  0.2587 0.3288000      0.5175000 
1 1 1 11 2  68 o 3.3030  0.4991 -1.216000      0.9983000 
1 1 1 11 2  69 o 5.5800  0.3303 -0.2149000     0.6607000 
1 1 1 11 2  70 o 2.6360  0.5042 2.146000       1.008000  
1 1 1 11 2  71 o 1.8330  0.5763 -0.3982000     1.153000  
1 1 1 11 3  0  o 16.520  0.1968 0.000000       0.000000  
1 1 1 11 3  1  o 17.050  0.1211 -0.1470000     0.2421000 
1 1 1 11 3  2  o 27.600  0.1468 0.4526000E-01  0.2935000 
1 1 1 11 3  3  o 16.640  0.1155 -0.5106000     0.2311000 
1 1 1 11 3  4  o 18.290  0.1137 -0.4847000     0.2274000 
1 1 1 11 3  5  o 8.4190  0.1482 -0.2999000     0.2963000 
1 1 1 11 3  6  o 14.390  0.1266 0.5616000      0.2532000 
1 1 1 11 3  7  o 16.870  0.1282 -0.2578000     0.2565000 
1 1 1 11 3  8  o 12.730  0.1432 0.3235000      0.2863000 
1 1 1 11 3  9  o 8.8840  0.1311 -0.4166000     0.2622000 
1 1 1 11 3  10 o 2.0800  0.4448 -0.8387000     0.8896000 
1 1 1 11 3  11 o 14.180  0.1304 -0.1621000     0.2608000 
1 1 1 11 3  12 o 10.410  0.1424 0.1114000      0.2849000 
1 1 1 11 3  13 o 17.820  0.1342 0.1399000E-01  0.2684000 
1 1 1 11 3  14 o 12.190  0.1398 -0.1199000     0.2796000 
1 1 1 11 3  15 o 16.070  0.1355 -0.8657000E-01 0.2710000 
1 1 1 11 3  16 o 12.430  0.1589 -0.3182000E-01 0.3179000 
1 1 1 11 3  17 o 17.320  0.1541 0.1640000      0.3081000 
1 1 1 11 3  18 f 6.1920  0.2321 -0.3547000     0.4643000 
1 1 1 11 3  19 o 4.9070  0.2803 0.3067000      0.5607000 
1 1 1 11 3  20 o 15.820  0.1454 0.5105000E-01  0.2908000 
1 1 1 11 3  21 o 6.0840  0.2072 0.5478000      0.4144000 
1 1 1 11 3  22 o 13.970  0.1389 -0.4579000     0.2778000 
1 1 1 11 3  23 o 19.550  0.1397 0.1882000E-01  0.2793000 
1 1 1 11 3  24 o 19.770  0.1415 -0.1541000     0.2831000 
1 1 1 11 3  25 o 8.4290  0.2397 0.4640000      0.4795000 
1 1 1 11 3  26 o 7.5930  0.2573 -0.5312000E-01 0.5146000 
1 1 1 11 3  27 o 5.8190  0.2283 -0.5613000     0.4566000 
1 1 1 11 3  28 o 2.9750  0.4616 0.1852000      0.9232000 
1 1 1 11 3  29 o 13.100  0.1247 -0.1936000     0.2494000 
1 1 1 11 3  30 o 25.030  0.1308 -0.2013000     0.2616000 
1 1 1 11 3  31 o 15.410  0.1391 0.7425000E-01  0.2782000 
1 1 1 11 3  32 o 6.9660  0.1871 -0.3782000     0.3741000 
1 1 1 11 3  33 o 18.230  0.1164 0.2202000      0.2328000 
1 1 1 11 3  34 o 15.280  0.1230 -0.7170000E-01 0.2460000 
1 1 1 11 3  35 o 5.5680  0.2648 -0.9106000     0.5297000 
1 1 1 11 3  36 o 14.590  0.1356 0.3334000      0.2712000 
1 1 1 11 3  37 o 10.830  0.1561 0.5305000      0.3121000 
1 1 1 11 3  38 o 12.270  0.1627 -0.9674000E-02 0.3254000 
1 1 1 11 3  39 o 6.0310  0.2948 -0.6562000     0.5897000 
1 1 1 11 3  40 o 3.1720  0.5090 0.1217000      1.018000  
1 1 1 11 3  41 o 6.9660  0.2676 0.6485000      0.5353000 
1 1 1 11 3  42 o 8.5840  0.2328 0.5018000      0.4655000 
1 1 1 11 3  43 o 5.2530  0.4548 -0.8853000     0.9095000 
1 1 1 11 3  44 o 14.970  0.1546 0.4986000      0.3092000 
1 1 1 11 3  45 o 6.3530  0.3263 -0.2263000     0.6526000 
1 1 1 11 3  46 o 24.510  0.1549 0.4944000      0.3098000 
1 1 1 11 3  47 o 18.120  0.1433 0.2552000      0.2866000 
1 1 1 11 3  48 o 10.030  0.2206 -0.2324000     0.4412000 
1 1 1 11 3  49 o 6.9830  0.2987 -0.1868000     0.5974000 
1 1 1 11 3  50 o 7.4000  0.2824 0.8649000      0.5649000 
1 1 1 11 3  51 o 1.8440  0.5519 -0.1736000     1.104000  
1 1 1 11 3  52 o 6.9510  0.2703 0.5900000      0.5407000 
1 1 1 11 3  53 o 6.7270  0.2883 -0.4815000     0.5766000 
1 1 1 11 3  54 o 8.9330  0.2209 -0.3511000E-02 0.4419000 
1 1 1 11 3  55 o 9.2450  0.1857 0.1449000      0.3715000 
1 1 1 11 3  56 o 4.3840  0.4127 0.1116000      0.8255000 
1 1 1 11 3  57 o 7.4150  0.2253 -0.3126000     0.4507000 
1 1 1 11 3  58 o 12.770  0.1936 -0.3459000E-01 0.3873000 
1 1 1 11 3  59 o 7.1150  0.2554 -0.4950000     0.5107000 
1 1 1 11 3  60 o 12.230  0.1750 0.5057000E-01  0.3499000 
1 1 1 11 3  61 o 1.9080  0.4966 0.9152000      0.9931000 
1 1 1 11 3  62 o 1.7750  0.5171 0.1450000E-01  1.034000  
1 1 1 11 3  63 o 3.2010  0.5481 -0.3921000     1.096000  
1 1 1 11 3  64 o 1.3330  0.4537 -0.1514000     0.9075000 
1 1 1 11 3  65 o 4.5250  0.4371 2.146000       0.8742000 
1 1 1 11 3  66 f 4.6540  0.4047 0.9136000      0.8094000 
1 1 1 11 3  67 o 5.9340  0.3143 0.7356000E-01  0.6286000 
1 1 1 11 3  68 o 2.8460  0.5595 0.7515000      1.119000  
1 1 1 11 3  69 o 2.5250  0.5640 -1.327000      1.128000  
1 1 1 11 3  70 o 3.2610  0.5771 0.2119000E-01  1.154000  
1 1 1 11 4  0  o 8.7320  0.2256 0.000000       0.000000  
1 1 1 11 4  1  o 12.170  0.1281 -0.2988000     0.2563000 
1 1 1 11 4  2  o 21.410  0.1464 -0.3662000     0.2928000 
1 1 1 11 4  3  o 4.0950  0.2202 0.8694000E-01  0.4405000 
1 1 1 11 4  4  o 12.070  0.1305 0.1035000      0.2610000 
1 1 1 11 4  5  o 8.8900  0.1453 -0.6800000     0.2906000 
1 1 1 11 4  6  o 7.3020  0.1694 0.2376000      0.3388000 
1 1 1 11 4  7  o 14.420  0.1430 -0.2222000     0.2860000 
1 1 1 11 4  8  o 22.310  0.1402 0.2099000      0.2804000 
1 1 1 11 4  9  o 8.4640  0.1536 0.1381000      0.3072000 
1 1 1 11 4  10 o 7.4630  0.1426 -0.4353000     0.2852000 
1 1 1 11 4  11 f 6.1840  0.1656 -0.1391000     0.3313000 
1 1 1 11 4  12 o 26.960  0.1370 0.3226000      0.2741000 
1 1 1 11 4  13 o 18.290  0.1358 -0.1271000     0.2716000 
1 1 1 11 4  14 o 5.9190  0.2115 -0.1215000     0.4229000 
1 1 1 11 4  15 o 12.720  0.1400 0.2245000E-01  0.2800000 
1 1 1 11 4  16 o 13.180  0.1410 0.1330000      0.2821000 
1 1 1 11 4  17 o 11.080  0.1371 -0.3374000     0.2741000 
1 1 1 11 4  18 o 16.070  0.1454 0.1365000      0.2909000 
1 1 1 11 4  19 o 4.8740  0.2950 0.7381000E-01  0.5899000 
1 1 1 11 4  20 o 18.290  0.1475 0.2560000      0.2950000 
1 1 1 11 4  21 o 6.6130  0.2037 0.1348000      0.4074000 
1 1 1 11 4  22 o 20.740  0.1411 0.2371000      0.2821000 
1 1 1 11 4  23 o 10.470  0.1404 0.1231000      0.2809000 
1 1 1 11 4  24 o 6.6440  0.2965 0.7104000      0.5931000 
1 1 1 11 4  25 o 20.040  0.1819 -0.1556000E-02 0.3639000 
1 1 1 11 4  26 o 13.480  0.1531 -0.9020000E-01 0.3061000 
1 1 1 11 4  27 o 5.9770  0.2068 -1.602000      0.4136000 
1 1 1 11 4  28 o 4.5970  0.2755 -0.3887000     0.5511000 
1 1 1 11 4  29 o 17.900  0.1402 -0.2475000     0.2804000 
1 1 1 11 4  30 o 10.600  0.1346 0.4093000      0.2692000 
1 1 1 11 4  31 o 22.690  0.1161 -0.2667000     0.2322000 
1 1 1 11 4  32 o 11.340  0.1305 0.2973000      0.2609000 
1 1 1 11 4  33 o 26.650  0.1419 0.5599000      0.2838000 
1 1 1 11 4  34 o 11.900  0.1495 0.4572000      0.2990000 
1 1 1 11 4  35 o 20.290  0.1271 -0.9487000E-01 0.2542000 
1 1 1 11 4  36 o 13.000  0.1367 -0.3169000     0.2735000 
1 1 1 11 4  37 o 13.990  0.1340 -0.3673000E-01 0.2680000 
1 1 1 11 4  38 o 10.530  0.1600 -0.1191000     0.3200000 
1 1 1 11 4  39 o 11.690  0.1583 0.2619000      0.3167000 
1 1 1 11 4  40 o 12.100  0.1924 0.6551000      0.3847000 
1 1 1 11 4  41 o 2.7970  0.5863 0.5576000      1.173000  
1 1 1 11 4  42 o 15.410  0.1581 0.4232000      0.3162000 
1 1 1 11 4  43 o 1.5440  0.4965 0.3820000      0.9930000 
1 1 1 11 4  44 o 20.230  0.1798 0.6634000      0.3596000 
1 1 1 11 4  45 o 14.690  0.2099 0.7215000      0.4197000 
1 1 1 11 4  46 o 14.770  0.1746 -0.1212000     0.3491000 
1 1 1 11 4  47 o 9.7490  0.2305 -0.2906000     0.4610000 
1 1 1 11 4  48 o 10.040  0.2003 -0.7671000E-01 0.4007000 
1 1 1 11 4  49 o 5.1310  0.3635 -0.7069000     0.7269000 
1 1 1 11 4  50 o 3.2590  0.5488 -0.2233000     1.098000  
1 1 1 11 4  51 o 9.0950  0.2290 -0.5112000E-01 0.4579000 
1 1 1 11 4  52 o 8.8490  0.2007 -0.4355000     0.4014000 
1 1 1 11 4  53 o 5.4640  0.3084 -1.041000      0.6168000 
1 1 1 11 4  54 o 5.7330  0.2811 0.3483000      0.5621000 
1 1 1 11 4  55 o 9.2270  0.2178 0.7339000      0.4355000 
1 1 1 11 4  56 o 7.1730  0.2271 0.4135000E-01  0.4542000 
1 1 1 11 4  57 o 9.4490  0.2051 -0.1945000     0.4102000 
1 1 1 11 4  58 o 2.5850  0.5440 0.2619000      1.088000  
1 1 1 11 4  59 o 10.0000 0.1784 -0.1629000E-01 0.3567000 
1 1 1 11 4  60 o 4.8370  0.3323 0.3009000      0.6647000 
1 1 1 11 4  61 o 4.4580  0.3910 -0.1348000     0.7820000 
1 1 1 11 4  62 o 3.9000  0.4700 -0.8410000     0.9399000 
1 1 1 11 4  63 o 8.8100  0.2131 -0.7795000     0.4261000 
1 1 1 11 4  64 o 5.8520  0.3051 1.376000       0.6101000 
1 1 1 11 4  65 o 7.0520  0.3478 -0.7260000     0.6957000 
1 1 1 11 4  66 o 4.1460  0.5120 1.011000       1.024000  
1 1 1 11 4  67 o 4.6600  0.3773 0.1484000      0.7546000 
1 1 1 11 4  68 o 4.6900  0.4056 0.5720000      0.8111000 
1 1 1 11 4  69 o 6.0910  0.3164 0.3891000      0.6327000 
1 1 1 11 4  70 o 5.2420  0.3901 -0.9704000     0.7803000 
1 1 1 11 5  0  o 25.940  0.3131 0.000000       0.000000  
1 1 1 11 5  1  o 13.580  0.1346 -0.2239000E-01 0.2692000 
1 1 1 11 5  2  o 10.920  0.1414 -0.1849000     0.2827000 
1 1 1 11 5  3  o 10.110  0.1290 -0.6097000     0.2580000 
1 1 1 11 5  4  o 4.6030  0.2904 -0.3294000     0.5808000 
1 1 1 11 5  5  o 11.680  0.1501 -0.4432000E-01 0.3002000 
1 1 1 11 5  6  o 15.400  0.1294 -0.1465000     0.2589000 
1 1 1 11 5  7  f 18.250  0.1327 -0.1592000     0.2655000 
1 1 1 11 5  8  o 7.8540  0.1373 0.3844000      0.2747000 
1 1 1 11 5  9  o 10.170  0.1205 0.1952000      0.2410000 
1 1 1 11 5  10 o 2.6190  0.3609 -0.3700000     0.7217000 
1 1 1 11 5  11 o 9.6760  0.1256 0.1653000      0.2512000 
1 1 1 11 5  12 o 14.310  0.1148 -0.3603000     0.2297000 
1 1 1 11 5  13 o 21.460  0.1237 -0.1405000     0.2473000 
1 1 1 11 5  14 o 15.840  0.1367 0.9327000E-01  0.2733000 
1 1 1 11 5  15 o 8.3850  0.1806 -0.3590000     0.3613000 
1 1 1 11 5  16 o 13.000  0.1278 -0.1636000     0.2555000 
1 1 1 11 5  17 o 1.5590  0.4570 0.3291000E-01  0.9140000 
1 1 1 11 5  18 o 11.650  0.1257 0.7079000      0.2514000 
1 1 1 11 5  19 o 8.7090  0.1483 -0.4227000     0.2965000 
1 1 1 11 5  20 o 1.8730  0.4672 -1.073000      0.9343000 
1 1 1 11 5  21 o 4.2960  0.2936 -0.2012000     0.5873000 
1 1 1 11 5  22 o 7.1730  0.1887 -0.5169000     0.3773000 
1 1 1 11 5  23 o 16.050  0.1230 -0.5097000     0.2460000 
1 1 1 11 5  24 o 8.5860  0.1874 -0.2541000     0.3748000 
1 1 1 11 5  25 o 11.240  0.1649 -0.1162000     0.3297000 
1 1 1 11 5  26 o 13.970  0.1346 0.1293000      0.2693000 
1 1 1 11 5  27 o 24.420  0.1250 0.2050000E-01  0.2499000 
1 1 1 11 5  28 o 11.890  0.1378 0.3235000      0.2757000 
1 1 1 11 5  29 o 14.750  0.1302 0.9421000E-01  0.2603000 
1 1 1 11 5  30 o 9.9560  0.1614 0.4803000      0.3227000 
1 1 1 11 5  31 o 2.3930  0.4545 0.7191000      0.9090000 
1 1 1 11 5  32 o 4.9250  0.2725 -0.8333000     0.5451000 
1 1 1 11 5  33 o 21.150  0.1369 0.2538000      0.2738000 
1 1 1 11 5  34 o 21.920  0.1207 0.2356000      0.2413000 
1 1 1 11 5  35 o 19.990  0.1206 0.7678000E-01  0.2412000 
1 1 1 11 5  36 o 15.040  0.1277 0.2719000      0.2555000 
1 1 1 11 5  37 o 15.630  0.1285 0.2873000      0.2570000 
1 1 1 11 5  38 o 11.370  0.1529 0.4281000      0.3058000 
1 1 1 11 5  39 o 10.540  0.1642 -0.2905000E-01 0.3284000 
1 1 1 11 5  40 o 16.500  0.1342 0.3508000      0.2683000 
1 1 1 11 5  41 o 9.3280  0.1879 -0.1087000     0.3758000 
1 1 1 11 5  42 o 6.8840  0.2723 -0.3604000     0.5445000 
1 1 1 11 5  43 o 19.080  0.1888 0.3443000      0.3775000 
1 1 1 11 5  44 o 3.9350  0.6381 -0.5742000     1.276000  
1 1 1 11 5  45 o 15.260  0.1515 0.8933000E-02  0.3030000 
1 1 1 11 5  46 o 4.8800  0.5103 0.2000000      1.021000  
1 1 1 11 5  47 o 2.4130  0.6291 -0.3454000     1.258000  
1 1 1 11 5  48 o 12.420  0.1918 0.3650000      0.3836000 
1 1 1 11 5  49 o 8.6220  0.1924 0.1673000      0.3848000 
1 1 1 11 5  50 o 4.8720  0.3224 0.6195000      0.6449000 
1 1 1 11 5  51 o 7.4430  0.2278 -0.3121000     0.4556000 
1 1 1 11 5  52 o 10.480  0.1777 -0.1466000     0.3553000 
1 1 1 11 5  53 o 15.980  0.1435 0.4586000      0.2870000 
1 1 1 11 5  54 o 1.5070  0.4867 0.2563000      0.9734000 
1 1 1 11 5  55 o 2.2090  0.6041 -0.3715000E-01 1.208000  
1 1 1 11 5  56 o 10.450  0.1866 -0.3766000E-01 0.3732000 
1 1 1 11 5  57 f 6.4020  0.2670 -0.7460000     0.5341000 
1 1 1 11 5  58 o 2.6600  0.5071 1.902000       1.014000  
1 1 1 11 5  59 f 7.4200  0.2318 -0.3858000     0.4637000 
1 1 1 11 5  60 o 6.5290  0.2570 0.6981000E-01  0.5140000 
1 1 1 11 5  61 o 3.4110  0.4844 1.496000       0.9688000 
1 1 1 11 5  62 o 6.3700  0.2714 -0.5247000E-02 0.5427000 
1 1 1 11 5  63 o 10.320  0.2230 0.3225000      0.4460000 
1 1 1 11 5  64 o 5.5120  0.4801 ?              ?         
1 1 1 11 5  65 o 2.7730  0.6526 0.1182000      1.305000  
1 1 1 11 5  66 o 1.8030  0.5488 -0.8321000E-01 1.098000  
1 1 1 11 5  67 o 2.8230  0.6448 -0.7114000     1.290000  
1 1 1 11 5  68 o 5.9930  0.3623 -0.1402000     0.7245000 
1 1 1 11 5  69 o 2.2290  0.5830 1.077000       1.166000  
1 1 1 11 5  70 o 2.8430  0.5926 1.407000       1.185000  
1 1 1 11 6  0  o 17.410  0.1902 0.000000       0.000000  
1 1 1 11 6  1  o 10.560  0.1653 -0.2002000E-01 0.3306000 
1 1 1 11 6  2  o 10.850  0.1638 0.2351000      0.3276000 
1 1 1 11 6  3  o 7.7750  0.1702 -0.7316000     0.3405000 
1 1 1 11 6  4  o 7.0030  0.2326 -0.3726000     0.4652000 
1 1 1 11 6  5  o 3.7600  0.3682 -0.1867000     0.7365000 
1 1 1 11 6  6  o 19.170  0.1713 -0.2494000     0.3425000 
1 1 1 11 6  7  o 7.5200  0.1432 0.1277000      0.2865000 
1 1 1 11 6  8  o 19.810  0.1116 0.2885000      0.2231000 
1 1 1 11 6  9  o 5.3550  0.1750 0.4257000      0.3499000 
1 1 1 11 6  10 o 6.7570  0.1467 0.6766000E-03  0.2934000 
1 1 1 11 6  11 o 18.720  0.1109 -0.4845000E-01 0.2217000 
1 1 1 11 6  12 o 5.1400  0.1850 -0.1483000     0.3701000 
1 1 1 11 6  13 o 9.6350  0.1222 0.1774000      0.2444000 
1 1 1 11 6  14 o 14.690  0.1104 -0.2154000     0.2207000 
1 1 1 11 6  15 o 7.4380  0.1395 -0.2486000     0.2790000 
1 1 1 11 6  16 o 7.1890  0.1620 0.7006000E-01  0.3240000 
1 1 1 11 6  17 o 5.7360  0.1970 -0.4995000     0.3940000 
1 1 1 11 6  18 o 7.1690  0.1798 -0.1243000     0.3597000 
1 1 1 11 6  19 o 10.050  0.1386 0.2092000      0.2771000 
1 1 1 11 6  20 o 15.210  0.1393 0.6014000E-01  0.2786000 
1 1 1 11 6  21 o 10.090  0.1627 -0.4656000     0.3255000 
1 1 1 11 6  22 o 16.590  0.1088 -0.5465000E-01 0.2176000 
1 1 1 11 6  23 o 14.170  0.1485 0.4955000      0.2969000 
1 1 1 11 6  24 o 13.050  0.1531 -0.1985000     0.3062000 
1 1 1 11 6  25 o 11.430  0.1418 -0.2035000     0.2835000 
1 1 1 11 6  26 o 13.690  0.1349 -0.2586000     0.2698000 
1 1 1 11 6  27 o 14.160  0.1273 0.4609000      0.2547000 
1 1 1 11 6  28 o 10.760  0.1448 0.3913000      0.2897000 
1 1 1 11 6  29 o 28.570  0.1449 0.1763000      0.2898000 
1 1 1 11 6  30 o 9.2280  0.1953 0.4782000      0.3905000 
1 1 1 11 6  31 o 12.890  0.1415 -0.1132000E-01 0.2829000 
1 1 1 11 6  32 o 12.980  0.1261 0.3752000      0.2523000 
1 1 1 11 6  33 o 29.550  0.1319 0.1370000      0.2637000 
1 1 1 11 6  34 o 26.600  0.1267 0.4332000      0.2533000 
1 1 1 11 6  35 o 18.180  0.1206 -0.2714000     0.2412000 
1 1 1 11 6  36 o 4.7200  0.2945 0.5190000      0.5889000 
1 1 1 11 6  37 o 11.070  0.1491 0.6047000      0.2982000 
1 1 1 11 6  38 o 3.2380  0.4648 0.4982000      0.9296000 
1 1 1 11 6  39 o 19.490  0.1384 0.9715000E-01  0.2768000 
1 1 1 11 6  40 o 5.9970  0.2836 1.178000       0.5673000 
1 1 1 11 6  41 o 14.900  0.1508 0.5016000      0.3016000 
1 1 1 11 6  42 f 11.010  0.1859 -0.2052000     0.3718000 
1 1 1 11 6  43 o 12.980  0.1808 -0.2948000     0.3615000 
1 1 1 11 6  44 o 13.990  0.1840 -0.1590000E-01 0.3679000 
1 1 1 11 6  45 o 3.2350  0.6692 -1.208000      1.338000  
1 1 1 11 6  46 o 4.6170  0.5039 1.447000       1.008000  
1 1 1 11 6  47 o 11.450  0.1972 0.2787000      0.3943000 
1 1 1 11 6  48 o 2.7660  0.5684 0.8742000      1.137000  
1 1 1 11 6  49 o 5.4110  0.3268 -0.4576000     0.6536000 
1 1 1 11 6  50 o 4.7960  0.3426 0.9703000E-01  0.6852000 
1 1 1 11 6  51 o 2.6790  0.5307 1.191000       1.061000  
1 1 1 11 6  52 o 7.6980  0.2337 -0.2494000     0.4673000 
1 1 1 11 6  53 o 7.0150  0.3166 0.2506000      0.6332000 
1 1 1 11 6  54 o 10.210  0.2141 0.1052000      0.4282000 
1 1 1 11 6  55 o 1.9750  0.5413 0.6392000      1.083000  
1 1 1 11 6  56 o 5.2470  0.3216 0.1447000      0.6432000 
1 1 1 11 6  57 o 15.450  0.1482 -0.4140000E-01 0.2963000 
1 1 1 11 6  58 o 4.9930  0.3376 -0.9296000     0.6751000 
1 1 1 11 6  59 o 9.6050  0.1928 -0.4313000     0.3857000 
1 1 1 11 6  60 o 6.3910  0.2672 -0.6006000     0.5344000 
1 1 1 11 6  61 o 4.6960  0.3590 0.4949000      0.7181000 
1 1 1 11 6  62 o 4.4310  0.3818 0.3925000E-01  0.7636000 
1 1 1 11 6  63 f 8.2140  0.2492 0.6903000E-01  0.4984000 
1 1 1 11 6  64 o 6.3020  0.3173 0.1115000      0.6347000 
1 1 1 11 6  65 f 4.5080  0.4750 -0.3140000     0.9500000 
1 1 1 11 6  66 o 2.4820  0.5634 -1.533000      1.127000  
1 1 1 11 6  67 o 3.4590  0.6904 0.3370000      1.381000  
1 1 1 11 6  68 o 10.950  0.2154 0.1235000      0.4308000 
1 1 1 11 6  69 f 4.7800  0.5387 1.525000       1.077000  
1 1 1 11 6  70 o 4.8530  0.5052 -0.6636000     1.010000  
1 1 1 11 7  0  o 6.6270  0.2176 0.000000       0.000000  
1 1 1 11 7  1  o 9.3210  0.1380 0.8462000E-01  0.2759000 
1 1 1 11 7  2  o 8.6860  0.1773 -0.2395000     0.3546000 
1 1 1 11 7  3  o 19.550  0.1631 -0.2977000     0.3262000 
1 1 1 11 7  4  o 13.500  0.1402 -0.2063000     0.2805000 
1 1 1 11 7  5  o 9.5460  0.1439 0.3207000      0.2878000 
1 1 1 11 7  6  o 2.5970  0.4140 0.5032000      0.8281000 
1 1 1 11 7  7  f 8.0670  0.1293 0.1475000      0.2587000 
1 1 1 11 7  8  o 7.4900  0.1343 -0.6099000E-01 0.2685000 
1 1 1 11 7  9  o 17.510  0.1074 -0.1420000     0.2148000 
1 1 1 11 7  10 o 7.3710  0.1285 -0.1355000     0.2570000 
1 1 1 11 7  11 o 4.3100  0.1959 -0.2041000E-01 0.3918000 
1 1 1 11 7  12 o 7.9030  0.1234 -0.5628000     0.2467000 
1 1 1 11 7  13 o 8.2690  0.1203 -0.2634000     0.2405000 
1 1 1 11 7  14 o 14.470  0.0959 -0.5051000     0.1918000 
1 1 1 11 7  15 o 10.980  0.1014 -0.2289000     0.2028000 
1 1 1 11 7  16 o 13.640  0.1083 -0.2693000     0.2167000 
1 1 1 11 7  17 o 6.3000  0.1631 -0.3164000     0.3261000 
1 1 1 11 7  18 o 14.180  0.1216 -0.6188000     0.2433000 
1 1 1 11 7  19 o 5.1650  0.2920 0.2075000      0.5840000 
1 1 1 11 7  20 o 7.9460  0.1831 -0.1348000     0.3662000 
1 1 1 11 7  21 o 19.940  0.1253 0.8710000E-01  0.2507000 
1 1 1 11 7  22 o 7.3360  0.1873 -0.3191000     0.3747000 
1 1 1 11 7  23 o 24.900  0.1570 -0.2011000     0.3140000 
1 1 1 11 7  24 o 13.750  0.1406 -0.3217000E-01 0.2812000 
1 1 1 11 7  25 f 14.370  0.1387 -0.3838000     0.2774000 
1 1 1 11 7  26 o 6.5240  0.2498 -0.4066000E-01 0.4997000 
1 1 1 11 7  27 o 14.970  0.1664 -0.5036000     0.3329000 
1 1 1 11 7  28 o 24.220  0.1657 0.2846000      0.3313000 
1 1 1 11 7  29 o 15.440  0.1836 -0.1276000     0.3672000 
1 1 1 11 7  30 o 11.780  0.1979 -0.5156000     0.3957000 
1 1 1 11 7  31 o 20.710  0.1497 -0.3501000     0.2994000 
1 1 1 11 7  32 o 7.2890  0.2659 -0.1343000     0.5317000 
1 1 1 11 7  33 o 2.7710  0.4936 -1.010000      0.9871000 
1 1 1 11 7  34 o 10.010  0.1861 0.4300000E-01  0.3721000 
1 1 1 11 7  35 o 4.9090  0.4465 -0.5806000     0.8930000 
1 1 1 11 7  36 o 6.1970  0.3539 -0.1207000     0.7079000 
1 1 1 11 7  37 o 20.420  0.1711 0.9241000E-01  0.3421000 
1 1 1 11 7  38 o 14.810  0.1882 0.3209000      0.3764000 
1 1 1 11 7  39 o 14.060  0.1678 0.1263000      0.3356000 
1 1 1 11 7  40 o 18.100  0.1587 0.5274000      0.3174000 
1 1 1 11 7  41 o 5.9320  0.4214 -0.6314000     0.8427000 
1 1 1 11 7  42 o 1.6120  0.5072 -0.2511000     1.014000  
1 1 1 11 7  43 o 7.9630  0.2626 -0.3761000     0.5252000 
1 1 1 11 7  44 o 9.8950  0.2228 0.2875000      0.4457000 
1 1 1 11 7  45 o 22.270  0.1591 -0.2498000E-01 0.3182000 
1 1 1 11 7  46 o 4.7420  0.3807 -1.999000      0.7613000 
1 1 1 11 7  47 o 11.420  0.1946 -0.1832000     0.3892000 
1 1 1 11 7  48 o 5.8220  0.3380 -0.4238000     0.6761000 
1 1 1 11 7  49 o 3.4840  0.5717 -0.3316000     1.143000  
1 1 1 11 7  50 o 9.3640  0.1963 0.5504000E-02  0.3926000 
1 1 1 11 7  51 o 4.2570  0.3969 0.4128000      0.7938000 
1 1 1 11 7  52 o 3.4410  0.5981 0.3005000      1.196000  
1 1 1 11 7  53 o 8.5830  0.2550 -0.6487000     0.5101000 
1 1 1 11 7  54 o 10.690  0.2293 0.7428000      0.4586000 
1 1 1 11 7  55 o 3.1220  0.5180 0.1935000      1.036000  
1 1 1 11 7  56 o 9.1890  0.1991 0.2516000      0.3982000 
1 1 1 11 7  57 o 3.5670  0.4777 1.358000       0.9554000 
1 1 1 11 7  58 o 15.880  0.1478 -0.1913000     0.2956000 
1 1 1 11 7  59 f 9.0370  0.2009 0.1747000      0.4019000 
1 1 1 11 7  60 o 5.4220  0.3116 0.3088000      0.6232000 
1 1 1 11 7  61 o 11.240  0.1759 -0.2419000     0.3518000 
1 1 1 11 7  62 o 7.6420  0.2571 0.3646000      0.5142000 
1 1 1 11 7  63 o 4.8360  0.3942 0.1242000      0.7883000 
1 1 1 11 7  64 o 8.1440  0.2524 -0.8064000     0.5048000 
1 1 1 11 7  65 o 4.6810  0.4056 0.1873000E-01  0.8112000 
1 1 1 11 7  66 f 3.0610  0.5423 1.120000       1.085000  
1 1 1 11 7  67 o 1.6450  0.5275 -0.1017000     1.055000  
1 1 1 11 7  68 o 2.4940  0.6250 -0.7272000     1.250000  
1 1 1 11 7  69 o 4.3160  0.5414 0.2225000E-01  1.083000  
1 1 1 11 8  0  o 4.2400  0.3983 0.000000       0.000000  
1 1 1 11 8  1  o 13.920  0.1293 -0.2463000     0.2585000 
1 1 1 11 8  2  o 14.370  0.1434 -0.3372000     0.2867000 
1 1 1 11 8  3  o 4.7670  0.2347 -0.1736000     0.4694000 
1 1 1 11 8  4  o 13.300  0.1275 -0.9457000E-01 0.2549000 
1 1 1 11 8  5  o 10.010  0.1605 0.9234000E-01  0.3210000 
1 1 1 11 8  6  o 8.9280  0.1646 0.7764000      0.3292000 
1 1 1 11 8  7  o 1.6450  0.4550 -0.1597000     0.9100000 
1 1 1 11 8  8  o 6.2770  0.1559 -0.2818000     0.3117000 
1 1 1 11 8  9  o 4.9440  0.1904 -0.8649000E-01 0.3808000 
1 1 1 11 8  10 o 12.810  0.1089 -0.1649000     0.2179000 
1 1 1 11 8  11 o 7.7480  0.1352 -0.1059000     0.2703000 
1 1 1 11 8  12 o 5.8980  0.1557 -0.9785000E-03 0.3115000 
1 1 1 11 8  13 o 6.8500  0.1370 -0.1008000     0.2740000 
1 1 1 11 8  14 o 13.640  0.0972 0.2304000      0.1943000 
1 1 1 11 8  15 o 8.5190  0.1172 0.6622000      0.2344000 
1 1 1 11 8  16 o 8.0780  0.1291 0.2107000E-01  0.2582000 
1 1 1 11 8  17 o 3.0580  0.3286 0.9763000      0.6573000 
1 1 1 11 8  18 o 2.5720  0.3925 0.1215000      0.7851000 
1 1 1 11 8  19 f 18.160  0.1352 0.1047000      0.2703000 
1 1 1 11 8  20 o 7.7010  0.2078 0.4204000      0.4156000 
1 1 1 11 8  21 o 4.4850  0.4619 -0.7917000E-01 0.9238000 
1 1 1 11 8  22 o 14.220  0.1596 -0.1626000E-01 0.3192000 
1 1 1 11 8  23 o 19.120  0.1346 0.1123000E-01  0.2693000 
1 1 1 11 8  24 o 17.740  0.1358 0.1978000      0.2716000 
1 1 1 11 8  25 o 12.030  0.1364 -0.1681000     0.2728000 
1 1 1 11 8  26 o 10.440  0.1491 0.1684000E-01  0.2982000 
1 1 1 11 8  27 o 6.0430  0.2621 -0.7737000     0.5241000 
1 1 1 11 8  28 o 22.320  0.1375 0.2924000      0.2750000 
1 1 1 11 8  29 o 5.6420  0.3552 1.009000       0.7103000 
1 1 1 11 8  30 o 7.6260  0.2549 0.3500000      0.5098000 
1 1 1 11 8  31 o 13.890  0.1992 0.2073000      0.3983000 
1 1 1 11 8  32 o 24.450  0.1773 -0.1506000     0.3545000 
1 1 1 11 8  33 o 16.760  0.1888 -0.7003000E-01 0.3776000 
1 1 1 11 8  34 o 2.4490  0.5926 1.765000       1.185000  
1 1 1 11 8  35 o 9.4160  0.2058 -0.5916000     0.4116000 
1 1 1 11 8  36 o 14.410  0.1612 0.3179000      0.3223000 
1 1 1 11 8  37 o 14.640  0.1618 0.6883000      0.3236000 
1 1 1 11 8  38 o 10.550  0.1529 0.1421000E-03  0.3059000 
1 1 1 11 8  39 o 11.090  0.1506 0.2521000      0.3012000 
1 1 1 11 8  40 o 5.1140  0.4734 -0.3760000     0.9467000 
1 1 1 11 8  41 o 11.540  0.1629 0.9761000E-01  0.3257000 
1 1 1 11 8  42 o 12.880  0.1458 -0.3475000E-01 0.2916000 
1 1 1 11 8  43 o 6.5780  0.2410 0.2434000      0.4820000 
1 1 1 11 8  44 o 9.7400  0.1802 0.3837000E-01  0.3604000 
1 1 1 11 8  45 o 9.8810  0.1758 0.2847000      0.3516000 
1 1 1 11 8  46 o 8.3960  0.2534 -0.3681000     0.5067000 
1 1 1 11 8  47 o 11.900  0.1991 -0.7589000     0.3983000 
1 1 1 11 8  48 f 2.6450  0.5633 -0.2426000     1.127000  
1 1 1 11 8  49 o 5.4230  0.3661 0.5631000      0.7322000 
1 1 1 11 8  50 o 7.5080  0.2650 0.1091000      0.5301000 
1 1 1 11 8  51 o 3.2250  0.6894 1.660000       1.379000  
1 1 1 11 8  52 o 4.9490  0.3510 -0.2665000     0.7020000 
1 1 1 11 8  53 o 5.5060  0.3028 -0.7798000     0.6056000 
1 1 1 11 8  54 o 6.2320  0.2706 -0.3613000     0.5412000 
1 1 1 11 8  55 o 5.1220  0.3111 0.8888000      0.6222000 
1 1 1 11 8  56 o 2.3410  0.5315 1.212000       1.063000  
1 1 1 11 8  57 o 5.8750  0.2821 0.8969000E-01  0.5642000 
1 1 1 11 8  58 o 7.3620  0.2304 -0.4158000     0.4608000 
1 1 1 11 8  59 o 4.4750  0.3656 0.6146000      0.7312000 
1 1 1 11 8  60 o 4.4160  0.3814 -0.4557000     0.7628000 
1 1 1 11 8  61 o 4.1260  0.5097 -1.472000      1.019000  
1 1 1 11 8  62 o 3.1820  0.5861 0.4966000E-01  1.172000  
1 1 1 11 8  63 f 4.0010  0.4679 0.4200000      0.9358000 
1 1 1 11 8  64 o 2.0900  0.5426 -1.302000      1.085000  
1 1 1 11 8  65 o 2.8010  0.5863 0.2433000      1.173000  
1 1 1 11 8  66 o 7.1040  0.2732 1.297000       0.5464000 
1 1 1 11 8  67 o 3.7390  0.4942 -0.7987000     0.9883000 
1 1 1 11 8  68 o 4.8160  0.4346 -0.5343000     0.8692000 
1 1 1 11 8  69 o 1.8080  0.5625 -0.9810000E-01 1.125000  
1 1 1 11 9  0  o 1.0010  0.6462 0.000000       0.000000  
1 1 1 11 9  1  o 11.610  0.1371 0.1871000      0.2743000 
1 1 1 11 9  2  o 8.1950  0.1471 0.1856000      0.2941000 
1 1 1 11 9  3  o 18.210  0.1205 0.8936000E-01  0.2410000 
1 1 1 11 9  4  o 17.610  0.1191 -0.1575000     0.2383000 
1 1 1 11 9  5  o 17.540  0.1199 -0.5753000E-02 0.2397000 
1 1 1 11 9  6  o 11.230  0.1493 0.5749000E-01  0.2987000 
1 1 1 11 9  7  o 2.1520  0.4752 -0.2624000     0.9504000 
1 1 1 11 9  8  o 12.810  0.1089 0.9417000E-01  0.2178000 
1 1 1 11 9  9  o 15.160  0.1064 0.7335000E-01  0.2129000 
1 1 1 11 9  10 o 14.900  0.1075 0.3534000      0.2150000 
1 1 1 11 9  11 o 14.290  0.1076 -0.4578000E-04 0.2153000 
1 1 1 11 9  12 o 9.8450  0.1191 -0.1898000     0.2382000 
1 1 1 11 9  13 o 3.5350  0.2527 -0.5566000     0.5055000 
1 1 1 11 9  14 o 17.730  0.1023 0.6069000E-02  0.2045000 
1 1 1 11 9  15 o 7.6780  0.1238 0.8940000E-01  0.2476000 
1 1 1 11 9  16 o 13.020  0.1051 0.4803000      0.2103000 
1 1 1 11 9  17 o 18.490  0.1189 0.4008000      0.2378000 
1 1 1 11 9  18 o 10.830  0.1162 -0.2701000E-01 0.2324000 
1 1 1 11 9  19 o 15.890  0.1148 -0.2518000     0.2296000 
1 1 1 11 9  20 o 20.540  0.1579 0.2605000      0.3158000 
1 1 1 11 9  21 o 7.0810  0.2039 0.1225000      0.4077000 
1 1 1 11 9  22 o 6.2610  0.2781 0.5712000      0.5563000 
1 1 1 11 9  23 o 11.480  0.1503 0.4528000E-01  0.3006000 
1 1 1 11 9  24 o 15.310  0.1239 0.3847000      0.2477000 
1 1 1 11 9  25 o 11.740  0.1394 -0.2505000     0.2788000 
1 1 1 11 9  26 o 5.0040  0.3003 -0.1243000     0.6007000 
1 1 1 11 9  27 o 3.0580  0.3778 3.060000       0.7556000 
1 1 1 11 9  28 o 8.9580  0.1748 0.3271000      0.3496000 
1 1 1 11 9  29 o 22.010  0.1343 0.4525000      0.2687000 
1 1 1 11 9  30 o 9.4430  0.1757 -0.1925000     0.3513000 
1 1 1 11 9  31 o 21.920  0.1478 0.1355000      0.2956000 
1 1 1 11 9  32 o 9.3770  0.2383 0.4556000      0.4766000 
1 1 1 11 9  33 o 3.6410  0.5000 1.654000       1.000000  
1 1 1 11 9  34 o 13.540  0.1684 0.6012000      0.3368000 
1 1 1 11 9  35 o 9.8450  0.1298 0.8498000E-01  0.2597000 
1 1 1 11 9  36 o 7.4860  0.1627 0.7164000      0.3254000 
1 1 1 11 9  37 o 20.090  0.1179 0.1130000      0.2359000 
1 1 1 11 9  38 o 8.9250  0.1553 -0.8439000E-01 0.3107000 
1 1 1 11 9  39 f 10.640  0.1491 0.1181000      0.2983000 
1 1 1 11 9  40 o 13.420  0.1363 0.3619000      0.2726000 
1 1 1 11 9  41 o 8.9370  0.1750 -0.1038000     0.3499000 
1 1 1 11 9  42 o 12.060  0.1471 0.1815000      0.2942000 
1 1 1 11 9  43 o 9.1120  0.1755 0.5066000      0.3510000 
1 1 1 11 9  44 o 16.030  0.1352 -0.4261000E-02 0.2704000 
1 1 1 11 9  45 o 7.9700  0.1993 -0.4475000E-01 0.3986000 
1 1 1 11 9  46 f 4.6480  0.3286 -0.4076000     0.6572000 
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1 1 1 11 9  48 o 8.6090  0.1906 0.4814000      0.3811000 
1 1 1 11 9  49 o 7.5510  0.3152 -0.1407000     0.6305000 
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1 1 1 11 9  51 o 4.6070  0.4232 0.5490000      0.8465000 
1 1 1 11 9  52 o 7.3850  0.2824 1.094000       0.5648000 
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1 1 1 11 9  54 o 8.7560  0.2101 0.5753000      0.4202000 
1 1 1 11 9  55 f 7.0020  0.2346 -0.8315000     0.4692000 
1 1 1 11 9  56 f 1.6290  0.5017 -0.7675000E-02 1.003000  
1 1 1 11 9  57 o 4.1170  0.4077 -0.8195000     0.8154000 
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1 1 1 11 9  59 f 2.9930  0.5556 0.7873000      1.111000  
1 1 1 11 9  60 o 6.3560  0.3130 0.1621000      0.6260000 
1 1 1 11 9  61 o 1.8440  0.5357 -0.3455000     1.071000  
1 1 1 11 9  62 f 4.7700  0.4021 1.452000       0.8042000 
1 1 1 11 9  63 f 4.1060  0.4506 -0.1031000     0.9013000 
1 1 1 11 9  64 o 4.0270  0.4369 0.5949000      0.8737000 
1 1 1 11 9  65 o 3.2580  0.5175 1.484000       1.035000  
1 1 1 11 9  66 o 2.9700  0.5466 -1.202000      1.093000  
1 1 1 11 9  67 o 2.4780  0.5663 1.344000       1.133000  
1 1 1 11 9  68 o 3.6360  0.5312 -0.2603000     1.062000  
1 1 1 11 10 0  o 2.1970  0.6921 0.000000       0.000000  
1 1 1 11 10 1  o 6.0110  0.1970 0.5725000      0.3939000 
1 1 1 11 10 2  o 7.0650  0.1509 0.2028000      0.3018000 
1 1 1 11 10 3  o 11.970  0.1283 -0.3778000     0.2565000 
1 1 1 11 10 4  o 1.1300  0.3711 -0.3654000     0.7421000 
1 1 1 11 10 5  o 4.3470  0.2561 -0.1865000     0.5122000 
1 1 1 11 10 6  o 16.970  0.1147 0.1287000      0.2295000 
1 1 1 11 10 7  o 12.410  0.1309 0.1441000      0.2617000 
1 1 1 11 10 8  o 1.9350  0.4791 -0.1450000     0.9582000 
1 1 1 11 10 9  o 18.180  0.1015 0.1076000      0.2030000 
1 1 1 11 10 10 o 4.9840  0.1854 -0.4136000E-01 0.3708000 
1 1 1 11 10 11 o 6.9060  0.1390 -0.1670000     0.2780000 
1 1 1 11 10 12 o 6.1720  0.1472 0.3673000      0.2944000 
1 1 1 11 10 13 o 9.7620  0.1176 -0.2524000     0.2352000 
1 1 1 11 10 14 o 9.2500  0.1200 -0.5634000E-01 0.2400000 
1 1 1 11 10 15 o 8.9230  0.1329 0.4796000      0.2659000 
1 1 1 11 10 16 o 6.6730  0.1604 -0.5486000     0.3207000 
1 1 1 11 10 17 o 22.220  0.1106 -0.4532000     0.2211000 
1 1 1 11 10 18 f 9.6410  0.1212 -0.4514000     0.2425000 
1 1 1 11 10 19 o 17.600  0.1312 -0.3916000     0.2624000 
1 1 1 11 10 20 o 8.3550  0.1878 -0.2654000E-01 0.3757000 
1 1 1 11 10 21 o 13.880  0.1443 -0.1522000E-01 0.2886000 
1 1 1 11 10 22 o 2.5680  0.5080 -0.7978000     1.016000  
1 1 1 11 10 23 o 14.250  0.1459 0.2742000      0.2919000 
1 1 1 11 10 24 o 16.360  0.1686 1.259000       0.3371000 
1 1 1 11 10 25 o 4.3490  0.3045 -0.2935000     0.6091000 
1 1 1 11 10 26 o 13.110  0.1776 -0.4528000     0.3551000 
1 1 1 11 10 27 o 12.090  0.1888 0.3693000      0.3776000 
1 1 1 11 10 28 o 22.900  0.1570 -0.6558000E-01 0.3140000 
1 1 1 11 10 29 o 19.270  0.1600 0.1452000      0.3201000 
1 1 1 11 10 30 o 4.1070  0.5278 1.261000       1.056000  
1 1 1 11 10 31 o 19.920  0.1637 0.2130000      0.3273000 
1 1 1 11 10 32 o 3.4440  0.5707 -0.1891000     1.141000  
1 1 1 11 10 33 f 8.1700  0.2554 -0.1410000     0.5108000 
1 1 1 11 10 34 o 12.500  0.1567 0.2676000      0.3133000 
1 1 1 11 10 35 o 12.150  0.1624 0.1548000      0.3248000 
1 1 1 11 10 36 o 15.610  0.1482 -0.8841000E-01 0.2964000 
1 1 1 11 10 37 o 30.460  0.1471 -0.1991000     0.2943000 
1 1 1 11 10 38 f 20.920  0.1294 -0.2784000     0.2589000 
1 1 1 11 10 39 o 14.070  0.1227 0.1105000      0.2454000 
1 1 1 11 10 40 o 9.5530  0.1516 0.1227000      0.3031000 
1 1 1 11 10 41 o 4.9430  0.2685 0.2392000      0.5370000 
1 1 1 11 10 42 o 13.430  0.1313 -0.1072000     0.2626000 
1 1 1 11 10 43 o 18.390  0.1245 0.1614000      0.2490000 
1 1 1 11 10 44 o 12.790  0.1366 0.3246000      0.2732000 
1 1 1 11 10 45 o 4.1320  0.3487 1.011000       0.6973000 
1 1 1 11 10 46 o 13.260  0.1376 0.1509000      0.2751000 
1 1 1 11 10 47 o 10.500  0.1568 -0.8825000E-01 0.3135000 
1 1 1 11 10 48 o 8.1110  0.2849 0.2119000      0.5698000 
1 1 1 11 10 49 o 9.5890  0.1712 -0.5188000E-01 0.3425000 
1 1 1 11 10 50 o 3.0800  0.4687 -0.8726000     0.9375000 
1 1 1 11 10 51 o 8.1310  0.2413 -0.8200000     0.4825000 
1 1 1 11 10 52 o 5.4250  0.4287 1.281000       0.8573000 
1 1 1 11 10 53 o 11.670  0.2789 -0.4001000     0.5578000 
1 1 1 11 10 54 o 10.880  0.2899 1.357000       0.5797000 
1 1 1 11 10 55 o 4.6870  0.3772 -2.071000      0.7545000 
1 1 1 11 10 56 o 7.9920  0.2303 0.3392000      0.4606000 
1 1 1 11 10 57 o 1.5490  0.4783 -0.6210000     0.9567000 
1 1 1 11 10 58 o 9.3230  0.2820 ?              ?         
1 1 1 11 10 59 o 4.2650  0.4342 -0.1776000     0.8683000 
1 1 1 11 10 60 o 5.4370  0.3273 1.829000       0.6545000 
1 1 1 11 10 61 o 3.5310  0.5038 0.4550000      1.008000  
1 1 1 11 10 62 o 7.3260  0.2500 0.9511000E-01  0.5000000 
1 1 1 11 10 63 o 5.0760  0.3455 -0.1037000     0.6909000 
1 1 1 11 10 64 o 4.7340  0.3737 0.1605000      0.7474000 
1 1 1 11 10 65 o 2.3460  0.5939 0.3374000      1.188000  
1 1 1 11 10 66 o 7.3780  0.2664 0.3139000      0.5329000 
1 1 1 11 10 67 o 2.2910  0.5987 0.5597000      1.197000  
1 1 1 11 10 68 o 6.2330  0.3318 0.4661000      0.6635000 
1 1 1 11 11 0  o 12.860  0.2249 0.000000       0.000000  
1 1 1 11 11 1  o 17.080  0.1519 0.000000       0.000000  
1 1 1 11 11 2  o 0.8285  0.5734 0.000000       0.000000  
1 1 1 11 11 3  o 2.7770  0.6754 0.000000       0.000000  
1 1 1 11 11 4  o 18.470  0.1727 0.000000       0.000000  
1 1 1 11 11 5  o 14.370  0.1786 0.000000       0.000000  
1 1 1 11 11 6  o 1.3300  0.7595 0.000000       0.000000  
1 1 1 11 11 7  o 7.3520  0.2106 0.000000       0.000000  
1 1 1 11 11 8  o 21.420  0.1870 0.000000       0.000000  
1 1 1 11 11 9  o 5.2130  0.3520 0.000000       0.000000  
1 1 1 11 11 10 o 9.0890  0.1791 0.000000       0.000000  
1 1 1 11 11 11 o 4.6470  0.2835 0.000000       0.000000  
1 1 1 11 11 12 o 9.1810  0.1656 0.000000       0.000000  
1 1 1 11 11 13 o 19.480  0.1417 0.000000       0.000000  
1 1 1 11 11 14 o 9.4390  0.1733 0.000000       0.000000  
1 1 1 11 11 15 f 16.220  0.1476 0.000000       0.000000  
1 1 1 11 11 16 o 9.7730  0.1554 0.000000       0.000000  
1 1 1 11 11 17 o 0.7547  0.5168 0.000000       0.000000  
1 1 1 11 11 18 o 4.7090  0.2735 0.000000       0.000000  
1 1 1 11 11 19 o 12.510  0.1361 0.000000       0.000000  
1 1 1 11 11 20 o 9.2090  0.1858 0.000000       0.000000  
1 1 1 11 11 21 o 18.980  0.1551 0.000000       0.000000  
1 1 1 11 11 22 o 22.810  0.2801 0.000000       0.000000  
1 1 1 11 11 23 o 17.100  0.2984 0.000000       0.000000  
1 1 1 11 11 24 o 30.270  0.2482 0.000000       0.000000  
1 1 1 11 11 25 o 24.940  0.2379 0.000000       0.000000  
1 1 1 11 11 26 o 5.0080  0.6207 0.000000       0.000000  
1 1 1 11 11 27 o 4.9050  0.5503 0.000000       0.000000  
1 1 1 11 11 28 o 2.3380  1.0420 0.000000       0.000000  
1 1 1 11 11 29 o 16.550  0.2248 0.000000       0.000000  
1 1 1 11 11 30 o 15.660  0.2325 0.000000       0.000000  
1 1 1 11 11 31 o 6.0700  0.4665 0.000000       0.000000  
1 1 1 11 11 32 o 9.2430  0.3402 0.000000       0.000000  
1 1 1 11 11 33 o 2.4500  1.0990 0.000000       0.000000  
1 1 1 11 11 34 o 6.4800  0.4754 0.000000       0.000000  
1 1 1 11 11 35 o 23.140  0.2233 0.000000       0.000000  
1 1 1 11 11 36 o 3.7910  1.0870 0.000000       0.000000  
1 1 1 11 11 37 o 25.560  0.2635 0.000000       0.000000  
1 1 1 11 11 38 o 8.2840  0.1809 0.000000       0.000000  
1 1 1 11 11 39 f 7.3590  0.2140 0.000000       0.000000  
1 1 1 11 11 40 o 3.3820  0.4965 0.000000       0.000000  
1 1 1 11 11 41 o 6.4670  0.2706 0.000000       0.000000  
1 1 1 11 11 42 o 17.200  0.1708 0.000000       0.000000  
1 1 1 11 11 43 o 0.8153  0.5698 0.000000       0.000000  
1 1 1 11 11 44 o 1.7450  0.8523 0.000000       0.000000  
1 1 1 11 11 45 o 1.3860  0.8008 0.000000       0.000000  
1 1 1 11 11 46 o 18.110  0.1777 0.000000       0.000000  
1 1 1 11 11 47 o 6.8540  0.4744 0.000000       0.000000  
1 1 1 11 11 48 o 4.8530  0.4083 0.000000       0.000000  
1 1 1 11 11 49 o 5.4060  0.3663 0.000000       0.000000  
1 1 1 11 11 50 o 2.4740  0.8567 0.000000       0.000000  
1 1 1 11 11 51 f 7.0720  0.2881 0.000000       0.000000  
1 1 1 11 11 52 o 10.630  0.2179 0.000000       0.000000  
1 1 1 11 11 53 f 2.1120  0.9260 0.000000       0.000000  
1 1 1 11 11 54 o 1.4670  0.9631 0.000000       0.000000  
1 1 1 11 11 55 o 3.1040  1.4030 0.000000       0.000000  
1 1 1 11 11 56 o 2.0170  0.9633 0.000000       0.000000  
1 1 1 11 11 57 o 1.8930  0.9692 0.000000       0.000000  
1 1 1 11 11 58 f 1.1290  0.7514 0.000000       0.000000  
1 1 1 11 11 59 o 2.9450  0.8578 0.000000       0.000000  
1 1 1 11 11 60 o 7.7230  0.3150 0.000000       0.000000  
1 1 1 11 11 61 o 2.3570  0.9835 0.000000       0.000000  
1 1 1 11 11 62 o 6.0090  0.4213 0.000000       0.000000  
1 1 1 11 11 63 o 2.9020  0.9597 0.000000       0.000000  
1 1 1 11 11 64 o 4.0930  0.6666 0.000000       0.000000  
1 1 1 11 11 65 o 2.0050  1.0100 0.000000       0.000000  
1 1 1 11 11 66 f 1.8020  0.9936 0.000000       0.000000  
1 1 1 11 11 67 o 1.1200  0.7660 0.000000       0.000000  
1 1 1 12 0  0  o 9.3730  0.2238 0.000000       0.000000  
1 1 1 12 0  1  o 2.1910  0.6144 0.000000       0.000000  
1 1 1 12 0  2  o 40.370  0.2244 0.000000       0.000000  
1 1 1 12 0  3  o 9.2570  0.1627 0.000000       0.000000  
1 1 1 12 0  4  o 15.890  0.1425 0.000000       0.000000  
1 1 1 12 0  5  o 9.3090  0.1896 0.000000       0.000000  
1 1 1 12 0  6  o 12.040  0.1726 0.000000       0.000000  
1 1 1 12 0  7  o 14.840  0.1668 0.000000       0.000000  
1 1 1 12 0  8  o 4.5830  0.3294 0.000000       0.000000  
1 1 1 12 0  9  o 30.850  0.2142 0.000000       0.000000  
1 1 1 12 0  10 o 21.880  0.1825 0.000000       0.000000  
1 1 1 12 0  11 o 2.1860  0.8390 0.000000       0.000000  
1 1 1 12 0  12 o 11.900  0.2210 0.000000       0.000000  
1 1 1 12 0  13 o 10.520  0.2327 0.000000       0.000000  
1 1 1 12 0  14 o 5.1220  0.3850 0.000000       0.000000  
1 1 1 12 0  15 o 15.940  0.2148 0.000000       0.000000  
1 1 1 12 0  16 o 7.0570  0.3138 0.000000       0.000000  
1 1 1 12 0  17 o 9.4320  0.2670 0.000000       0.000000  
1 1 1 12 0  18 o 7.7180  0.3064 0.000000       0.000000  
1 1 1 12 0  19 o 5.6910  0.3998 0.000000       0.000000  
1 1 1 12 0  20 o 24.990  0.1972 0.000000       0.000000  
1 1 1 12 0  21 o 11.500  0.2473 0.000000       0.000000  
1 1 1 12 0  22 o 15.270  0.2274 0.000000       0.000000  
1 1 1 12 0  23 o 7.0030  0.3470 0.000000       0.000000  
1 1 1 12 0  24 o 3.8760  0.5296 0.000000       0.000000  
1 1 1 12 0  25 o 5.2740  0.4391 0.000000       0.000000  
1 1 1 12 0  26 f 1.2640  0.8045 0.000000       0.000000  
1 1 1 12 0  27 o 7.0340  0.3144 0.000000       0.000000  
1 1 1 12 0  28 o 5.4330  0.3898 0.000000       0.000000  
1 1 1 12 0  29 o 12.520  0.1816 0.000000       0.000000  
1 1 1 12 0  30 o 6.0410  0.3798 0.000000       0.000000  
1 1 1 12 0  31 o 46.390  0.3025 0.000000       0.000000  
1 1 1 12 0  32 o 12.710  0.2368 0.000000       0.000000  
1 1 1 12 0  33 o 15.850  0.2206 0.000000       0.000000  
1 1 1 12 0  34 o 25.580  0.1862 0.000000       0.000000  
1 1 1 12 0  35 o 10.710  0.2273 0.000000       0.000000  
1 1 1 12 0  36 o 11.980  0.2157 0.000000       0.000000  
1 1 1 12 0  37 o 36.670  0.2237 0.000000       0.000000  
1 1 1 12 0  38 o 21.630  0.1886 0.000000       0.000000  
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1 1 1 12 0  50 o 20.060  0.2275 0.000000       0.000000  
1 1 1 12 0  51 o 9.2630  0.2751 0.000000       0.000000  
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1 1 1 12 0  53 o 8.1410  0.3015 0.000000       0.000000  
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1 1 1 12 0  57 o 2.6660  1.0320 0.000000       0.000000  
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1 1 1 12 0  59 o 1.7700  0.9504 0.000000       0.000000  
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1 1 1 12 0  68 o 8.4360  0.3241 0.000000       0.000000  
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1 1 1 12 0  70 o 4.4080  0.6063 0.000000       0.000000  
1 1 1 12 1  0  o 13.620  0.1423 0.000000       0.000000  
1 1 1 12 1  1  o 18.080  0.1023 0.5510000E-01  0.2046000 
1 1 1 12 1  2  o 16.010  0.1009 -0.1675000     0.2018000 
1 1 1 12 1  3  o 14.020  0.1013 -0.6963000E-01 0.2025000 
1 1 1 12 1  4  o 7.3950  0.1405 -0.1153000     0.2809000 
1 1 1 12 1  5  f 11.300  0.1148 0.1590000E-01  0.2295000 
1 1 1 12 1  6  o 14.510  0.1106 -0.1198000     0.2212000 
1 1 1 12 1  7  o 10.930  0.1319 -0.1066000     0.2637000 
1 1 1 12 1  8  o 3.6670  0.3375 -0.1260000     0.6750000 
1 1 1 12 1  9  o 23.900  0.1608 -0.3150000     0.3215000 
1 1 1 12 1  10 o 5.1210  0.2669 -1.081000      0.5338000 
1 1 1 12 1  11 o 5.5750  0.3476 ?              ?         
1 1 1 12 1  12 o 11.370  0.1603 -0.1367000     0.3205000 
1 1 1 12 1  13 o 30.330  0.1855 -0.5150000E-01 0.3710000 
1 1 1 12 1  14 o 13.140  0.1554 -0.2366000     0.3109000 
1 1 1 12 1  15 o 9.0110  0.1838 0.2324000      0.3675000 
1 1 1 12 1  16 o 5.6740  0.2624 0.4841000      0.5247000 
1 1 1 12 1  17 o 4.5680  0.3264 -0.1472000     0.6529000 
1 1 1 12 1  18 o 6.4720  0.2457 -0.4231000     0.4913000 
1 1 1 12 1  19 o 20.780  0.1630 -0.2289000     0.3259000 
1 1 1 12 1  20 o 7.2950  0.2148 0.1577000      0.4296000 
1 1 1 12 1  21 o 6.1290  0.2712 -0.6074000     0.5425000 
1 1 1 12 1  22 o 8.1250  0.2176 -0.5686000     0.4353000 
1 1 1 12 1  23 o 13.400  0.1596 0.5159000      0.3192000 
1 1 1 12 1  24 o 23.710  0.2156 -1.164000      0.4312000 
1 1 1 12 1  25 o 12.550  0.2175 0.3240000      0.4349000 
1 1 1 12 1  26 o 8.7090  0.2268 -0.4865000     0.4535000 
1 1 1 12 1  27 o 13.360  0.1718 -0.1943000     0.3437000 
1 1 1 12 1  28 o 8.3310  0.2168 -0.1281000     0.4337000 
1 1 1 12 1  29 o 3.2930  0.5048 -0.7739000     1.010000  
1 1 1 12 1  30 o 17.000  0.1347 -0.5967000     0.2693000 
1 1 1 12 1  31 o 3.8370  0.4838 0.5345000      0.9677000 
1 1 1 12 1  32 f 19.950  0.1376 -0.9562000E-01 0.2752000 
1 1 1 12 1  33 o 11.200  0.1703 0.2164000      0.3407000 
1 1 1 12 1  34 o 4.3480  0.3462 0.2477000      0.6923000 
1 1 1 12 1  35 o 11.610  0.1682 -0.1868000     0.3364000 
1 1 1 12 1  36 o 13.720  0.1569 0.2121000      0.3138000 
1 1 1 12 1  37 o 17.990  0.1467 0.9777000E-01  0.2934000 
1 1 1 12 1  38 o 10.800  0.1943 -0.5016000     0.3885000 
1 1 1 12 1  39 o 16.870  0.1496 -0.3604000E-01 0.2991000 
1 1 1 12 1  40 o 15.870  0.1506 -0.3151000     0.3012000 
1 1 1 12 1  41 o 6.3400  0.2804 -0.1220000     0.5608000 
1 1 1 12 1  42 o 18.070  0.1518 -0.1343000     0.3036000 
1 1 1 12 1  43 o 13.320  0.1693 0.3829000      0.3387000 
1 1 1 12 1  44 o 12.040  0.1758 0.4876000E-02  0.3516000 
1 1 1 12 1  45 o 16.640  0.1612 0.1701000      0.3224000 
1 1 1 12 1  46 o 6.2080  0.3255 -0.9639000     0.6509000 
1 1 1 12 1  47 o 1.8640  0.5581 -0.2519000     1.116000  
1 1 1 12 1  48 o 11.650  0.1924 0.4326000E-01  0.3848000 
1 1 1 12 1  49 o 9.0370  0.2166 0.7332000E-01  0.4331000 
1 1 1 12 1  50 o 7.5150  0.2545 0.1285000      0.5089000 
1 1 1 12 1  51 o 12.110  0.1776 0.3136000      0.3552000 
1 1 1 12 1  52 o 2.7800  0.5047 2.066000       1.009000  
1 1 1 12 1  53 o 9.8330  0.1944 -0.9130000     0.3889000 
1 1 1 12 1  54 o 2.9710  0.5658 1.569000       1.132000  
1 1 1 12 1  55 o 10.990  0.1822 0.3323000      0.3644000 
1 1 1 12 1  56 o 12.490  0.1711 -0.3323000E-01 0.3423000 
1 1 1 12 1  57 o 5.6990  0.3620 0.9299000      0.7240000 
1 1 1 12 1  58 o 11.670  0.1787 0.2359000      0.3574000 
1 1 1 12 1  59 f 4.4170  0.4801 0.2524000E-01  0.9601000 
1 1 1 12 1  60 o 4.6220  0.4351 -1.538000      0.8702000 
1 1 1 12 1  61 o 5.3930  0.3648 -1.374000      0.7297000 
1 1 1 12 1  62 o 5.2290  0.3422 0.4329000      0.6844000 
1 1 1 12 1  63 o 2.2360  0.5824 0.3254000      1.165000  
1 1 1 12 1  64 o 4.7590  0.3599 1.087000       0.7198000 
1 1 1 12 1  65 o 7.3140  0.2463 -0.5510000E-01 0.4927000 
1 1 1 12 1  66 o 4.8770  0.3831 0.8011000      0.7661000 
1 1 1 12 1  67 o 6.1930  0.3116 0.9727000      0.6232000 
1 1 1 12 1  68 o 2.1320  0.5908 0.5648000E-01  1.182000  
1 1 1 12 1  69 o 2.3560  0.5799 0.3637000E-01  1.160000  
1 1 1 12 1  70 o 4.9710  0.3821 0.3508000      0.7642000 
1 1 1 12 2  0  o 1.0110  0.6145 0.000000       0.000000  
1 1 1 12 2  1  o 18.180  0.1024 -0.1788000E-01 0.2049000 
1 1 1 12 2  2  o 16.150  0.1083 0.2240000E-01  0.2166000 
1 1 1 12 2  3  o 4.6570  0.2007 -0.1474000     0.4014000 
1 1 1 12 2  4  o 13.620  0.1097 -0.1774000     0.2195000 
1 1 1 12 2  5  o 10.810  0.1334 0.8144000E-01  0.2667000 
1 1 1 12 2  6  o 13.830  0.1314 -0.1292000     0.2628000 
1 1 1 12 2  7  o 5.6800  0.2095 -0.1822000     0.4190000 
1 1 1 12 2  8  o 14.390  0.1327 -0.2605000     0.2654000 
1 1 1 12 2  9  o 4.8510  0.2446 0.2390000      0.4892000 
1 1 1 12 2  10 o 10.940  0.1438 -0.6656000     0.2876000 
1 1 1 12 2  11 o 4.7040  0.2627 0.3799000      0.5255000 
1 1 1 12 2  12 o 10.780  0.1487 -0.9677000E-01 0.2975000 
1 1 1 12 2  13 o 5.6170  0.2299 0.1085000      0.4599000 
1 1 1 12 2  14 o 9.7350  0.1580 -0.6213000     0.3160000 
1 1 1 12 2  15 o 4.6460  0.3092 -0.7708000     0.6184000 
1 1 1 12 2  16 o 5.2320  0.2832 0.3820000      0.5664000 
1 1 1 12 2  17 o 6.0850  0.2528 0.5595000      0.5056000 
1 1 1 12 2  18 o 16.200  0.1586 -0.2339000     0.3172000 
1 1 1 12 2  19 o 5.4010  0.3047 -0.8113000     0.6094000 
1 1 1 12 2  20 o 6.0180  0.3553 0.5555000      0.7105000 
1 1 1 12 2  21 o 9.3200  0.2548 -0.2613000     0.5095000 
1 1 1 12 2  22 o 13.260  0.2190 -0.1039000     0.4380000 
1 1 1 12 2  23 o 12.690  0.1638 0.4328000      0.3276000 
1 1 1 12 2  24 o 23.480  0.1548 -0.9829000E-02 0.3096000 
1 1 1 12 2  25 o 14.090  0.1623 0.1044000      0.3246000 
1 1 1 12 2  26 o 7.1010  0.2266 -0.3512000     0.4531000 
1 1 1 12 2  27 o 16.270  0.1374 0.1292000      0.2747000 
1 1 1 12 2  28 o 26.860  0.1413 -0.4476000     0.2826000 
1 1 1 12 2  29 f 18.330  0.1328 0.2033000      0.2656000 
1 1 1 12 2  30 o 10.780  0.1635 -0.4968000     0.3270000 
1 1 1 12 2  31 o 19.040  0.1373 0.4283000      0.2747000 
1 1 1 12 2  32 o 26.580  0.1310 0.3859000      0.2619000 
1 1 1 12 2  33 o 14.510  0.1318 -0.1940000     0.2636000 
1 1 1 12 2  34 o 7.3500  0.2386 0.3906000E-01  0.4772000 
1 1 1 12 2  35 o 18.140  0.1439 0.3997000      0.2878000 
1 1 1 12 2  36 o 5.3680  0.3294 -0.8534000     0.6589000 
1 1 1 12 2  37 o 10.180  0.1882 0.7961000      0.3765000 
1 1 1 12 2  38 o 12.610  0.1730 0.1560000      0.3459000 
1 1 1 12 2  39 o 21.140  0.1632 -0.3277000E-01 0.3264000 
1 1 1 12 2  40 o 4.4870  0.4270 0.2408000      0.8541000 
1 1 1 12 2  41 o 17.350  0.1361 0.1537000E-02  0.2721000 
1 1 1 12 2  42 o 26.390  0.1362 0.3395000E-01  0.2723000 
1 1 1 12 2  43 o 17.750  0.1548 -0.6095000E-01 0.3096000 
1 1 1 12 2  44 o 20.910  0.1523 -0.1189000     0.3046000 
1 1 1 12 2  45 o 20.860  0.1541 0.3890000      0.3082000 
1 1 1 12 2  46 o 10.200  0.2029 -0.1612000     0.4057000 
1 1 1 12 2  47 o 21.480  0.1546 0.4582000      0.3092000 
1 1 1 12 2  48 o 11.250  0.1973 -0.6121000     0.3947000 
1 1 1 12 2  49 o 9.4770  0.2147 0.4868000      0.4293000 
1 1 1 12 2  50 o 15.860  0.1554 -0.7705000E-01 0.3108000 
1 1 1 12 2  51 o 8.5080  0.2319 -0.2021000     0.4638000 
1 1 1 12 2  52 o 9.3910  0.2256 0.3378000      0.4511000 
1 1 1 12 2  53 o 2.4520  0.6026 -0.1892000     1.205000  
1 1 1 12 2  54 o 1.8730  0.5276 1.055000       1.055000  
1 1 1 12 2  55 o 9.6100  0.2096 -0.8756000E-01 0.4191000 
1 1 1 12 2  56 o 2.2120  0.5988 0.5490000      1.198000  
1 1 1 12 2  57 o 10.370  0.2131 -0.1199000     0.4262000 
1 1 1 12 2  58 o 1.7040  0.5182 -0.3985000     1.036000  
1 1 1 12 2  59 o 3.0020  0.5208 -0.9837000     1.042000  
1 1 1 12 2  60 o 13.420  0.1680 -0.1284000     0.3359000 
1 1 1 12 2  61 o 5.5750  0.2837 -0.2864000     0.5675000 
1 1 1 12 2  62 o 6.1360  0.3292 0.8258000      0.6583000 
1 1 1 12 2  63 o 6.5780  0.2771 0.7138000      0.5542000 
1 1 1 12 2  64 o 5.9610  0.2760 0.3115000      0.5521000 
1 1 1 12 2  65 o 4.1190  0.4378 -0.1749000     0.8757000 
1 1 1 12 2  66 o 5.3730  0.3452 -0.3133000     0.6904000 
1 1 1 12 2  67 o 8.7730  0.2284 0.1453000      0.4568000 
1 1 1 12 2  68 o 3.2760  0.5429 0.4785000      1.086000  
1 1 1 12 2  69 o 4.0060  0.4673 -0.5504000     0.9346000 
1 1 1 12 2  70 o 6.0530  0.3331 0.3521000      0.6662000 
1 1 1 12 3  0  o 19.110  0.1674 0.000000       0.000000  
1 1 1 12 3  1  o 16.190  0.1085 0.1117000      0.2170000 
1 1 1 12 3  2  o 1.9900  0.4087 0.7222000      0.8174000 
1 1 1 12 3  3  o 16.500  0.1085 0.1500000      0.2170000 
1 1 1 12 3  4  o 3.4060  0.3309 2.365000       0.6619000 
1 1 1 12 3  5  o 5.2920  0.2183 -0.2686000E-01 0.4367000 
1 1 1 12 3  6  o 14.390  0.1310 0.1757000      0.2621000 
1 1 1 12 3  7  o 6.1370  0.1975 0.1493000      0.3950000 
1 1 1 12 3  8  o 12.200  0.1373 0.4198000      0.2745000 
1 1 1 12 3  9  o 16.870  0.1339 -0.4169000     0.2678000 
1 1 1 12 3  10 o 18.050  0.1351 0.1348000      0.2702000 
1 1 1 12 3  11 o 19.900  0.1393 0.2955000      0.2786000 
1 1 1 12 3  12 o 14.050  0.1373 -0.1073000     0.2747000 
1 1 1 12 3  13 o 11.780  0.1452 -0.1686000     0.2903000 
1 1 1 12 3  14 o 16.470  0.1395 0.1447000      0.2790000 
1 1 1 12 3  15 o 5.1480  0.2606 0.8982000E-01  0.5212000 
1 1 1 12 3  16 o 11.640  0.1528 0.1828000      0.3056000 
1 1 1 12 3  17 o 14.570  0.1614 -0.5861000     0.3229000 
1 1 1 12 3  18 f 4.8620  0.3295 1.150000       0.6591000 
1 1 1 12 3  19 o 9.7550  0.1791 -0.5192000     0.3583000 
1 1 1 12 3  20 o 12.720  0.2102 0.1753000      0.4204000 
1 1 1 12 3  21 o 15.310  0.2152 0.3014000E-01  0.4305000 
1 1 1 12 3  22 o 12.490  0.1845 -0.1391000     0.3689000 
1 1 1 12 3  23 o 10.460  0.2159 -0.5580000     0.4317000 
1 1 1 12 3  24 o 20.210  0.1506 -0.2595000     0.3012000 
1 1 1 12 3  25 o 31.570  0.1763 -0.9651000E-03 0.3525000 
1 1 1 12 3  26 o 11.650  0.1609 -0.2134000     0.3219000 
1 1 1 12 3  27 o 5.2880  0.2811 0.8100000      0.5622000 
1 1 1 12 3  28 o 9.3780  0.1788 -0.5716000     0.3576000 
1 1 1 12 3  29 o 15.580  0.1385 0.6920000      0.2771000 
1 1 1 12 3  30 o 19.260  0.1361 0.8511000E-02  0.2723000 
1 1 1 12 3  31 o 18.490  0.1380 -0.4226000     0.2759000 
1 1 1 12 3  32 o 17.900  0.1236 0.4939000      0.2471000 
1 1 1 12 3  33 o 14.800  0.1307 0.1583000      0.2615000 
1 1 1 12 3  34 o 13.040  0.1508 0.8542000E-01  0.3016000 
1 1 1 12 3  35 o 28.330  0.1376 -0.1958000     0.2752000 
1 1 1 12 3  36 o 14.500  0.1399 1.016000       0.2799000 
1 1 1 12 3  37 o 17.470  0.1346 -0.2981000     0.2691000 
1 1 1 12 3  38 f 1.7280  0.5247 -0.6852000     1.049000  
1 1 1 12 3  39 o 2.2750  0.5680 -1.058000      1.136000  
1 1 1 12 3  40 o 8.7570  0.2204 0.1537000      0.4409000 
1 1 1 12 3  41 o 4.2920  0.4544 2.314000       0.9089000 
1 1 1 12 3  42 o 12.980  0.2173 -0.6735000     0.4346000 
1 1 1 12 3  43 o 15.010  0.1951 0.2985000      0.3903000 
1 1 1 12 3  44 o 7.5870  0.2692 0.1208000      0.5384000 
1 1 1 12 3  45 o 23.540  0.1479 0.4195000      0.2959000 
1 1 1 12 3  46 o 3.1040  0.5738 0.4705000      1.148000  
1 1 1 12 3  47 o 4.9090  0.4016 -0.2629000     0.8031000 
1 1 1 12 3  48 o 9.9550  0.2081 -0.2972000     0.4162000 
1 1 1 12 3  49 f 18.630  0.1622 -0.2968000E-01 0.3243000 
1 1 1 12 3  50 o 16.270  0.1629 -0.2841000     0.3259000 
1 1 1 12 3  51 o 9.5440  0.2128 0.2870000      0.4255000 
1 1 1 12 3  52 o 5.7640  0.3333 -0.2983000E-01 0.6665000 
1 1 1 12 3  53 o 4.8740  0.3744 -0.7383000E-01 0.7487000 
1 1 1 12 3  54 o 7.7820  0.2436 -0.3043000     0.4872000 
1 1 1 12 3  55 o 6.3090  0.3114 0.9950000      0.6228000 
1 1 1 12 3  56 o 1.8250  0.5544 0.2044000      1.109000  
1 1 1 12 3  57 o 12.380  0.1706 0.1085000      0.3413000 
1 1 1 12 3  58 o 2.6730  0.5601 0.9198000      1.120000  
1 1 1 12 3  59 o 8.6420  0.2182 -0.5976000     0.4364000 
1 1 1 12 3  60 o 9.4890  0.2054 -0.5077000     0.4108000 
1 1 1 12 3  61 o 2.2120  0.5436 -0.9439000     1.087000  
1 1 1 12 3  62 o 9.6090  0.1896 -0.5137000     0.3792000 
1 1 1 12 3  63 o 9.1100  0.2025 -0.6278000E-01 0.4050000 
1 1 1 12 3  64 o 4.3770  0.5130 2.135000       1.026000  
1 1 1 12 3  65 o 4.2710  0.4789 -0.7436000     0.9578000 
1 1 1 12 3  66 o 2.2380  0.5293 1.265000       1.059000  
1 1 1 12 3  67 o 1.6700  0.5175 -0.4018000     1.035000  
1 1 1 12 3  68 o 3.1000  0.5940 -0.1571000E-01 1.188000  
1 1 1 12 3  69 o 3.2500  0.5524 0.5719000      1.105000  
1 1 1 12 3  70 o 3.9570  0.4953 -0.2591000     0.9906000 
1 1 1 12 4  0  o 20.940  0.1727 0.000000       0.000000  
1 1 1 12 4  1  o 6.3870  0.1666 0.7434000      0.3332000 
1 1 1 12 4  2  o 7.6810  0.1445 -0.3292000     0.2890000 
1 1 1 12 4  3  o 10.890  0.1400 0.1059000      0.2801000 
1 1 1 12 4  4  f 12.720  0.1332 0.4845000      0.2665000 
1 1 1 12 4  5  o 14.530  0.1314 -0.6052000     0.2628000 
1 1 1 12 4  6  o 3.5940  0.3230 0.1043000      0.6460000 
1 1 1 12 4  7  o 1.5850  0.4447 0.1931000      0.8894000 
1 1 1 12 4  8  o 15.170  0.1339 -0.3658000E-01 0.2678000 
1 1 1 12 4  9  o 16.600  0.1351 0.5431000E-01  0.2701000 
1 1 1 12 4  10 o 1.6360  0.4453 0.4744000      0.8907000 
1 1 1 12 4  11 o 10.100  0.1619 0.1256000      0.3238000 
1 1 1 12 4  12 o 3.6990  0.2953 -0.1678000     0.5906000 
1 1 1 12 4  13 o 15.340  0.1392 0.1579000      0.2783000 
1 1 1 12 4  14 o 19.560  0.1426 0.6326000E-01  0.2851000 
1 1 1 12 4  15 o 8.2950  0.1818 -0.1003000E-01 0.3635000 
1 1 1 12 4  16 o 5.1900  0.2622 -1.360000      0.5243000 
1 1 1 12 4  17 o 15.940  0.1448 0.2185000      0.2895000 
1 1 1 12 4  18 o 12.090  0.1505 -0.7141000     0.3010000 
1 1 1 12 4  19 o 6.5700  0.3386 -0.9494000     0.6773000 
1 1 1 12 4  20 o 14.780  0.2043 0.1998000      0.4085000 
1 1 1 12 4  21 o 10.530  0.2903 ?              ?         
1 1 1 12 4  22 o 2.8130  0.5714 -1.733000      1.143000  
1 1 1 12 4  23 o 10.860  0.2172 -0.2400000E-01 0.4344000 
1 1 1 12 4  24 o 9.7750  0.1823 -0.3458000     0.3645000 
1 1 1 12 4  25 o 38.240  0.2619 ?              ?         
1 1 1 12 4  26 o 9.7030  0.1662 -0.3496000     0.3324000 
1 1 1 12 4  27 o 19.150  0.1367 -0.1029000E-01 0.2735000 
1 1 1 12 4  28 o 27.180  0.1440 -0.1024000     0.2879000 
1 1 1 12 4  29 o 16.450  0.1282 0.1211000      0.2563000 
1 1 1 12 4  30 o 6.1620  0.2356 -0.2766000     0.4712000 
1 1 1 12 4  31 o 12.290  0.1454 -0.3377000     0.2909000 
1 1 1 12 4  32 o 8.6260  0.1904 -0.1183000     0.3808000 
1 1 1 12 4  33 o 15.130  0.1242 -0.1787000     0.2484000 
1 1 1 12 4  34 o 36.700  0.1574 -0.2826000     0.3148000 
1 1 1 12 4  35 o 6.3190  0.2345 0.5334000      0.4691000 
1 1 1 12 4  36 o 12.340  0.1497 0.3116000      0.2994000 
1 1 1 12 4  37 o 3.5380  0.4502 -1.411000      0.9004000 
1 1 1 12 4  38 o 23.070  0.1278 0.1468000E-01  0.2557000 
1 1 1 12 4  39 o 14.310  0.1399 0.8102000E-01  0.2799000 
1 1 1 12 4  40 o 19.030  0.1309 0.2239000      0.2617000 
1 1 1 12 4  41 o 8.9510  0.2518 1.056000       0.5035000 
1 1 1 12 4  42 o 20.510  0.1589 0.2106000E-01  0.3178000 
1 1 1 12 4  43 o 7.2410  0.3177 0.8159000E-01  0.6353000 
1 1 1 12 4  44 o 10.160  0.2821 -1.769000      0.5642000 
1 1 1 12 4  45 o 3.7480  0.5685 -0.5946000E-01 1.137000  
1 1 1 12 4  46 o 9.0060  0.4184 0.6720000      0.8368000 
1 1 1 12 4  47 o 16.620  0.1636 -0.1823000     0.3272000 
1 1 1 12 4  48 o 5.9780  0.3589 -0.8732000     0.7177000 
1 1 1 12 4  49 o 14.900  0.1728 -0.4524000E-01 0.3456000 
1 1 1 12 4  50 o 4.8280  0.4274 1.026000       0.8548000 
1 1 1 12 4  51 o 18.720  0.1572 0.2725000      0.3143000 
1 1 1 12 4  52 o 11.650  0.1848 -0.3270000     0.3697000 
1 1 1 12 4  53 o 3.8370  0.4826 0.7347000      0.9653000 
1 1 1 12 4  54 o 3.0530  0.5885 0.5604000      1.177000  
1 1 1 12 4  55 o 4.4950  0.4722 -1.549000      0.9443000 
1 1 1 12 4  56 f 9.2880  0.1883 0.5302000      0.3765000 
1 1 1 12 4  57 o 5.3830  0.2939 -0.2394000     0.5878000 
1 1 1 12 4  58 o 8.9370  0.1921 -0.4633000     0.3841000 
1 1 1 12 4  59 o 5.2940  0.3011 -0.5801000     0.6023000 
1 1 1 12 4  60 o 10.440  0.1740 0.3357000      0.3479000 
1 1 1 12 4  61 o 2.4970  0.5081 -1.670000      1.016000  
1 1 1 12 4  62 o 4.4950  0.4536 -0.7125000     0.9071000 
1 1 1 12 4  63 o 3.9490  0.4912 -0.8422000E-01 0.9824000 
1 1 1 12 4  64 o 1.9980  0.5621 -1.085000      1.124000  
1 1 1 12 4  65 o 7.5700  0.2419 0.4475000      0.4839000 
1 1 1 12 4  66 o 3.1170  0.6060 -0.6425000     1.212000  
1 1 1 12 4  67 o 7.9140  0.2787 0.7895000      0.5573000 
1 1 1 12 4  68 o 4.6510  0.4168 0.9360000      0.8335000 
1 1 1 12 4  69 o 3.4970  0.5554 0.1827000E-01  1.111000  
1 1 1 12 4  70 o 3.7300  0.5231 -0.6638000     1.046000  
1 1 1 12 5  0  o 19.220  0.1685 0.000000       0.000000  
1 1 1 12 5  1  o 15.910  0.1254 -0.4913000E-01 0.2508000 
1 1 1 12 5  2  o 10.250  0.1354 -0.2024000     0.2708000 
1 1 1 12 5  3  o 6.5690  0.1984 0.1961000      0.3967000 
1 1 1 12 5  4  o 3.7650  0.3274 0.4409000E-01  0.6549000 
1 1 1 12 5  5  o 11.410  0.1579 -0.4812000E-01 0.3157000 
1 1 1 12 5  6  o 5.8670  0.1863 -0.4258000     0.3727000 
1 1 1 12 5  7  o 13.150  0.1385 -0.3748000     0.2769000 
1 1 1 12 5  8  o 7.7210  0.1775 0.2575000      0.3551000 
1 1 1 12 5  9  o 6.2060  0.2081 -0.2464000E-02 0.4162000 
1 1 1 12 5  10 o 12.280  0.1427 -0.3697000     0.2854000 
1 1 1 12 5  11 o 7.7190  0.1530 0.4285000      0.3059000 
1 1 1 12 5  12 o 4.0280  0.2626 0.4297000E-01  0.5253000 
1 1 1 12 5  13 o 17.230  0.1210 0.2518000      0.2419000 
1 1 1 12 5  14 f 12.930  0.1248 -0.2717000     0.2495000 
1 1 1 12 5  15 o 21.810  0.1495 0.8248000E-01  0.2990000 
1 1 1 12 5  16 o 9.0390  0.1737 -0.5838000     0.3474000 
1 1 1 12 5  17 o 4.7220  0.2630 -0.2147000     0.5260000 
1 1 1 12 5  18 o 6.8480  0.2137 0.1940000      0.4274000 
1 1 1 12 5  19 o 8.5560  0.1862 0.1178000      0.3725000 
1 1 1 12 5  20 o 11.520  0.1818 -0.3706000     0.3635000 
1 1 1 12 5  21 o 9.5560  0.2019 0.8213000      0.4038000 
1 1 1 12 5  22 o 17.000  0.2473 ?              ?         
1 1 1 12 5  23 o 13.780  0.1407 -0.1309000     0.2814000 
1 1 1 12 5  24 o 15.430  0.1269 -0.2366000     0.2539000 
1 1 1 12 5  25 o 11.850  0.1364 0.1218000      0.2727000 
1 1 1 12 5  26 o 4.9020  0.2636 -0.8292000     0.5272000 
1 1 1 12 5  27 o 17.540  0.1285 0.2665000      0.2570000 
1 1 1 12 5  28 o 13.480  0.1332 0.3204000      0.2663000 
1 1 1 12 5  29 o 23.650  0.1295 -0.3878000E-01 0.2589000 
1 1 1 12 5  30 o 26.250  0.1343 0.8089000E-01  0.2687000 
1 1 1 12 5  31 o 35.270  0.1549 -0.1231000     0.3097000 
1 1 1 12 5  32 o 21.800  0.1324 0.5058000      0.2648000 
1 1 1 12 5  33 o 15.930  0.1547 0.4044000      0.3095000 
1 1 1 12 5  34 o 5.2320  0.2765 -0.1300000     0.5530000 
1 1 1 12 5  35 o 15.330  0.1280 -0.1433000     0.2560000 
1 1 1 12 5  36 o 20.500  0.1238 0.1215000      0.2477000 
1 1 1 12 5  37 o 15.300  0.1318 -0.7076000E-03 0.2636000 
1 1 1 12 5  38 o 9.9330  0.1703 0.1125000      0.3406000 
1 1 1 12 5  39 o 12.550  0.1491 -0.5979000E-01 0.2982000 
1 1 1 12 5  40 o 2.6470  0.5270 1.239000       1.054000  
1 1 1 12 5  41 o 5.2890  0.3281 -0.5867000     0.6563000 
1 1 1 12 5  42 o 2.9960  0.5934 -0.8564000     1.187000  
1 1 1 12 5  43 o 5.9630  0.3500 0.1444000      0.7001000 
1 1 1 12 5  44 o 12.470  0.2092 -0.5264000     0.4185000 
1 1 1 12 5  45 o 4.0170  0.5561 0.8564000      1.112000  
1 1 1 12 5  46 o 3.6320  0.5296 0.4038000      1.059000  
1 1 1 12 5  47 o 8.0190  0.2804 -0.3138000     0.5607000 
1 1 1 12 5  48 o 13.650  0.2149 0.4900000      0.4298000 
1 1 1 12 5  49 o 5.2070  0.3963 -0.6022000     0.7926000 
1 1 1 12 5  50 o 9.9490  0.2038 0.5784000      0.4075000 
1 1 1 12 5  51 o 8.1640  0.2290 -0.1248000     0.4581000 
1 1 1 12 5  52 o 8.2760  0.2362 0.3210000      0.4724000 
1 1 1 12 5  53 o 7.5470  0.2240 0.1173000      0.4479000 
1 1 1 12 5  54 o 12.960  0.1851 -0.1507000E-01 0.3702000 
1 1 1 12 5  55 o 4.1030  0.3903 -1.123000      0.7807000 
1 1 1 12 5  56 o 8.3430  0.1993 0.2171000      0.3985000 
1 1 1 12 5  57 o 12.280  0.1544 0.2334000      0.3089000 
1 1 1 12 5  58 o 6.1330  0.2580 0.4545000E-01  0.5161000 
1 1 1 12 5  59 o 6.2240  0.2698 -0.8904000E-01 0.5396000 
1 1 1 12 5  60 o 8.3230  0.2123 0.3529000      0.4245000 
1 1 1 12 5  61 o 8.1380  0.2567 0.6485000      0.5135000 
1 1 1 12 5  62 o 5.6970  0.3170 0.4239000      0.6339000 
1 1 1 12 5  63 o 10.370  0.2361 0.3620000E-01  0.4721000 
1 1 1 12 5  64 f 3.3240  0.5253 -2.687000      1.051000  
1 1 1 12 5  65 o 7.2430  0.3299 -0.6466000     0.6598000 
1 1 1 12 5  66 o 5.6450  0.3350 -0.4277000     0.6700000 
1 1 1 12 5  67 o 4.1140  0.4511 -0.1667000     0.9022000 
1 1 1 12 5  68 o 2.7050  0.6343 0.1293000      1.269000  
1 1 1 12 5  69 o 5.5730  0.4253 -0.9373000     0.8507000 
1 1 1 12 6  0  o 7.2940  0.2465 0.000000       0.000000  
1 1 1 12 6  1  o 5.5240  0.2132 -0.2398000     0.4265000 
1 1 1 12 6  2  o 10.660  0.1523 0.4387000      0.3046000 
1 1 1 12 6  3  o 4.9810  0.2560 0.3503000      0.5120000 
1 1 1 12 6  4  o 2.0140  0.4985 -1.640000      0.9971000 
1 1 1 12 6  5  o 5.6740  0.2371 -0.8142000     0.4741000 
1 1 1 12 6  6  o 8.0310  0.1579 -0.1809000     0.3157000 
1 1 1 12 6  7  o 11.020  0.1489 0.5006000      0.2977000 
1 1 1 12 6  8  o 12.540  0.1435 -0.8332000E-01 0.2871000 
1 1 1 12 6  9  o 4.0500  0.3408 0.8763000      0.6816000 
1 1 1 12 6  10 o 8.2280  0.1470 0.6404000E-01  0.2940000 
1 1 1 12 6  11 o 13.650  0.1196 0.2185000      0.2391000 
1 1 1 12 6  12 o 5.6190  0.1961 0.3977000      0.3921000 
1 1 1 12 6  13 o 6.5950  0.1658 0.3189000      0.3317000 
1 1 1 12 6  14 o 10.960  0.1245 0.6076000      0.2490000 
1 1 1 12 6  15 o 4.3400  0.2452 -0.4592000E-02 0.4904000 
1 1 1 12 6  16 o 9.4610  0.1550 -0.1949000     0.3101000 
1 1 1 12 6  17 o 11.220  0.1449 0.3629000E-01  0.2898000 
1 1 1 12 6  18 o 18.530  0.1448 0.4046000      0.2896000 
1 1 1 12 6  19 o 9.2830  0.2374 ?              ?         
1 1 1 12 6  20 o 5.6950  0.2486 -0.5887000     0.4972000 
1 1 1 12 6  21 o 6.6800  0.2482 -0.5423000     0.4964000 
1 1 1 12 6  22 o 9.7980  0.2134 ?              ?         
1 1 1 12 6  23 o 20.770  0.1185 -0.4358000E-01 0.2369000 
1 1 1 12 6  24 o 8.8080  0.1623 -0.7270000     0.3246000 
1 1 1 12 6  25 o 21.950  0.1298 0.4428000      0.2596000 
1 1 1 12 6  26 o 6.9990  0.1932 0.1410000      0.3863000 
1 1 1 12 6  27 o 17.930  0.1242 -0.1057000     0.2484000 
1 1 1 12 6  28 o 17.480  0.1256 -0.3199000     0.2512000 
1 1 1 12 6  29 o 22.620  0.1288 -0.2911000     0.2577000 
1 1 1 12 6  30 o 10.180  0.1619 0.2881000      0.3237000 
1 1 1 12 6  31 o 16.340  0.1491 0.2455000      0.2982000 
1 1 1 12 6  32 o 10.270  0.1787 0.4063000      0.3574000 
1 1 1 12 6  33 o 17.720  0.1418 0.3884000      0.2835000 
1 1 1 12 6  34 o 26.480  0.1405 -0.3736000     0.2811000 
1 1 1 12 6  35 o 2.6530  0.4994 0.1979000      0.9988000 
1 1 1 12 6  36 o 9.4550  0.1655 0.8827000E-01  0.3309000 
1 1 1 12 6  37 o 19.040  0.1261 -0.5750000E-01 0.2523000 
1 1 1 12 6  38 o 20.900  0.1278 0.1722000      0.2557000 
1 1 1 12 6  39 o 21.470  0.1389 0.4699000      0.2779000 
1 1 1 12 6  40 o 9.1260  0.2075 -0.3307000     0.4151000 
1 1 1 12 6  41 o 4.3800  0.4767 -1.025000      0.9534000 
1 1 1 12 6  42 o 10.910  0.1829 0.3025000      0.3659000 
1 1 1 12 6  43 o 6.2220  0.2930 -0.5889000     0.5860000 
1 1 1 12 6  44 o 6.7020  0.2825 0.8701000      0.5650000 
1 1 1 12 6  45 o 24.710  0.1451 0.7105000      0.2901000 
1 1 1 12 6  46 o 13.600  0.1802 -0.2384000     0.3604000 
1 1 1 12 6  47 o 6.8770  0.3035 0.6285000      0.6069000 
1 1 1 12 6  48 o 13.880  0.1786 0.2994000      0.3573000 
1 1 1 12 6  49 o 3.6080  0.5181 -0.9391000     1.036000  
1 1 1 12 6  50 o 6.6260  0.2943 -0.6194000     0.5887000 
1 1 1 12 6  51 o 3.4100  0.6014 1.024000       1.203000  
1 1 1 12 6  52 o 7.1840  0.2507 -0.1098000     0.5015000 
1 1 1 12 6  53 o 1.9240  0.5755 -0.9727000E-01 1.151000  
1 1 1 12 6  54 o 4.4380  0.3898 -0.5028000     0.7795000 
1 1 1 12 6  55 o 5.8610  0.2839 -0.8973000E-01 0.5678000 
1 1 1 12 6  56 o 6.8130  0.2504 -0.6525000     0.5009000 
1 1 1 12 6  57 f 8.8030  0.2025 0.3316000      0.4050000 
1 1 1 12 6  58 o 3.7250  0.4459 -0.4604000     0.8919000 
1 1 1 12 6  59 o 3.0810  0.5174 0.7065000      1.035000  
1 1 1 12 6  60 o 6.5090  0.2595 -0.6041000E-01 0.5190000 
1 1 1 12 6  61 o 5.0660  0.3535 0.9502000      0.7069000 
1 1 1 12 6  62 o 4.9010  0.3889 -0.6786000     0.7777000 
1 1 1 12 6  63 o 11.180  0.1958 0.3648000      0.3915000 
1 1 1 12 6  64 o 5.3750  0.3655 -0.7524000     0.7310000 
1 1 1 12 6  65 o 9.4830  0.2176 -0.2679000     0.4352000 
1 1 1 12 6  66 o 1.6490  0.5317 -0.3156000     1.063000  
1 1 1 12 6  67 o 1.6920  0.5468 -0.1706000     1.094000  
1 1 1 12 6  68 o 4.0680  0.5102 0.4016000      1.020000  
1 1 1 12 6  69 o 2.4060  0.6159 0.1729000      1.232000  
1 1 1 12 7  0  o 6.4520  0.2389 0.000000       0.000000  
1 1 1 12 7  1  o 8.6230  0.1822 -0.2325000E-02 0.3644000 
1 1 1 12 7  2  o 12.080  0.1477 0.7234000      0.2955000 
1 1 1 12 7  3  o 9.7490  0.1457 0.1090000      0.2915000 
1 1 1 12 7  4  o 17.910  0.1377 -0.1197000     0.2753000 
1 1 1 12 7  5  o 12.830  0.1413 0.5142000E-01  0.2826000 
1 1 1 12 7  6  o 11.300  0.1363 0.6340000      0.2726000 
1 1 1 12 7  7  o 6.3300  0.2160 0.5379000      0.4320000 
1 1 1 12 7  8  o 5.9660  0.2249 -0.3056000     0.4498000 
1 1 1 12 7  9  o 2.2850  0.4366 1.010000       0.8732000 
1 1 1 12 7  10 o 9.1610  0.1324 -0.2408000     0.2649000 
1 1 1 12 7  11 o 17.960  0.1153 -0.3963000     0.2307000 
1 1 1 12 7  12 o 13.540  0.1159 -0.2335000     0.2317000 
1 1 1 12 7  13 o 8.1180  0.1455 -0.5016000E-01 0.2909000 
1 1 1 12 7  14 o 6.6460  0.1678 -0.3055000     0.3355000 
1 1 1 12 7  15 o 9.4180  0.1351 0.5348000E-01  0.2703000 
1 1 1 12 7  16 o 7.9260  0.1469 -0.2286000     0.2938000 
1 1 1 12 7  17 o 13.620  0.1306 -0.4465000E-01 0.2612000 
1 1 1 12 7  18 o 16.520  0.2084 0.3843000E-01  0.4168000 
1 1 1 12 7  19 o 6.3370  0.2281 -0.1439000     0.4562000 
1 1 1 12 7  20 o 11.480  0.1758 0.4169000E-01  0.3516000 
1 1 1 12 7  21 o 15.350  0.1594 -0.6883000     0.3187000 
1 1 1 12 7  22 o 1.7730  0.4777 0.4158000      0.9555000 
1 1 1 12 7  23 o 15.050  0.1394 -0.3182000E-01 0.2787000 
1 1 1 12 7  24 f 13.620  0.1221 0.4730000      0.2443000 
1 1 1 12 7  25 o 11.050  0.1501 -0.5353000     0.3002000 
1 1 1 12 7  26 o 17.170  0.1203 0.2627000      0.2406000 
1 1 1 12 7  27 o 25.190  0.1324 -0.5577000     0.2648000 
1 1 1 12 7  28 o 11.810  0.1411 -0.1675000     0.2823000 
1 1 1 12 7  29 o 4.7220  0.3250 1.026000       0.6499000 
1 1 1 12 7  30 o 11.860  0.1683 0.3424000      0.3366000 
1 1 1 12 7  31 o 6.3120  0.2392 -0.4226000     0.4783000 
1 1 1 12 7  32 o 3.7100  0.4096 -0.4530000     0.8191000 
1 1 1 12 7  33 o 14.280  0.1465 -0.6219000     0.2930000 
1 1 1 12 7  34 o 9.4760  0.1952 -0.8629000E-02 0.3904000 
1 1 1 12 7  35 o 15.410  0.1997 -0.2632000E-03 0.3995000 
1 1 1 12 7  36 o 6.7580  0.3248 0.4038000      0.6497000 
1 1 1 12 7  37 o 19.990  0.1752 0.1457000E-02  0.3503000 
1 1 1 12 7  38 o 2.6290  0.5084 -1.543000      1.017000  
1 1 1 12 7  39 o 6.0800  0.3967 -0.2406000     0.7934000 
1 1 1 12 7  40 f 5.4710  0.4384 0.1287000E-01  0.8768000 
1 1 1 12 7  41 o 10.460  0.2207 -0.3451000     0.4414000 
1 1 1 12 7  42 o 18.000  0.1642 -0.2773000     0.3283000 
1 1 1 12 7  43 o 10.310  0.2202 0.1409000      0.4403000 
1 1 1 12 7  44 o 7.1000  0.2915 0.6302000      0.5831000 
1 1 1 12 7  45 o 18.880  0.1605 0.3966000      0.3211000 
1 1 1 12 7  46 o 6.5120  0.2555 0.6496000      0.5109000 
1 1 1 12 7  47 o 8.0480  0.2138 0.6291000E-01  0.4276000 
1 1 1 12 7  48 o 2.0660  0.5524 -0.1930000     1.105000  
1 1 1 12 7  49 o 9.3140  0.2281 0.4929000      0.4562000 
1 1 1 12 7  50 o 12.300  0.2146 -0.1715000     0.4292000 
1 1 1 12 7  51 o 5.9960  0.3637 -0.4064000     0.7274000 
1 1 1 12 7  52 o 7.6210  0.2412 0.1030000      0.4824000 
1 1 1 12 7  53 o 3.7640  0.4460 0.9041000      0.8919000 
1 1 1 12 7  54 o 7.0590  0.2446 0.7786000E-01  0.4891000 
1 1 1 12 7  55 o 6.2220  0.2634 0.6878000      0.5268000 
1 1 1 12 7  56 o 2.7930  0.5408 -0.4114000     1.082000  
1 1 1 12 7  57 o 12.930  0.1599 0.1259000      0.3199000 
1 1 1 12 7  58 o 3.9950  0.4281 -0.8836000     0.8561000 
1 1 1 12 7  59 o 10.630  0.1789 0.5526000      0.3578000 
1 1 1 12 7  60 o 5.0180  0.3587 0.8369000      0.7174000 
1 1 1 12 7  61 o 2.5070  0.5612 1.419000       1.122000  
1 1 1 12 7  62 o 5.3080  0.3431 0.3732000      0.6861000 
1 1 1 12 7  63 o 1.7020  0.5257 -0.7316000E-01 1.051000  
1 1 1 12 7  64 o 6.9430  0.2846 -0.6147000     0.5691000 
1 1 1 12 7  65 o 5.7530  0.3292 -0.4153000     0.6585000 
1 1 1 12 7  66 o 2.2740  0.5791 -0.6796000     1.158000  
1 1 1 12 7  67 o 2.8010  0.6043 0.2182000      1.209000  
1 1 1 12 7  68 o 7.2470  0.2905 -0.3448000     0.5809000 
1 1 1 12 7  69 o 2.6810  0.6485 -0.7651000     1.297000  
1 1 1 12 8  0  o 4.0100  0.4580 0.000000       0.000000  
1 1 1 12 8  1  o 2.7000  0.5339 -0.4119000     1.068000  
1 1 1 12 8  2  o 17.150  0.1176 0.4625000E-01  0.2352000 
1 1 1 12 8  3  o 6.4950  0.1726 0.5468000      0.3453000 
1 1 1 12 8  4  o 3.4460  0.3451 -0.2821000     0.6901000 
1 1 1 12 8  5  o 5.0190  0.2248 -0.6413000     0.4496000 
1 1 1 12 8  6  o 1.5200  0.4501 -0.1984000     0.9001000 
1 1 1 12 8  7  o 8.6800  0.1787 0.8081000      0.3575000 
1 1 1 12 8  8  o 8.2650  0.1784 0.7024000      0.3569000 
1 1 1 12 8  9  o 7.5160  0.1921 0.3898000      0.3841000 
1 1 1 12 8  10 o 18.120  0.1148 -0.1029000E-01 0.2295000 
1 1 1 12 8  11 o 5.4390  0.1944 -0.2093000     0.3887000 
1 1 1 12 8  12 o 17.000  0.1060 0.5387000      0.2120000 
1 1 1 12 8  13 o 18.290  0.1072 0.2433000      0.2143000 
1 1 1 12 8  14 o 13.790  0.1071 -0.2567000     0.2142000 
1 1 1 12 8  15 o 5.7190  0.1691 0.5153000E-01  0.3382000 
1 1 1 12 8  16 o 3.0970  0.3564 0.4242000      0.7129000 
1 1 1 12 8  17 o 14.740  0.1202 0.4164000      0.2405000 
1 1 1 12 8  18 o 9.3490  0.1432 -0.8423000E-01 0.2863000 
1 1 1 12 8  19 o 7.1360  0.3083 -0.9138000     0.6167000 
1 1 1 12 8  20 f 9.2250  0.2042 0.5409000E-01  0.4083000 
1 1 1 12 8  21 o 9.5050  0.1583 0.4802000E-01  0.3167000 
1 1 1 12 8  22 o 2.9450  0.4407 1.547000       0.8814000 
1 1 1 12 8  23 o 9.5550  0.1662 0.1239000E-02  0.3325000 
1 1 1 12 8  24 o 12.740  0.1415 0.3193000      0.2830000 
1 1 1 12 8  25 o 15.220  0.1365 -0.6231000E-01 0.2730000 
1 1 1 12 8  26 o 3.9460  0.3744 0.4181000      0.7487000 
1 1 1 12 8  27 o 5.8540  0.2534 -0.8412000     0.5067000 
1 1 1 12 8  28 o 16.800  0.1503 -0.1288000     0.3006000 
1 1 1 12 8  29 o 20.800  0.1352 -0.1004000     0.2704000 
1 1 1 12 8  30 o 31.380  0.2403 -0.4033000     0.4805000 
1 1 1 12 8  31 o 17.560  0.1863 0.2536000      0.3727000 
1 1 1 12 8  32 o 20.140  0.1821 -0.5094000     0.3642000 
1 1 1 12 8  33 o 18.620  0.1870 0.1835000E-01  0.3740000 
1 1 1 12 8  34 o 4.9960  0.4331 0.7084000      0.8662000 
1 1 1 12 8  35 o 15.000  0.1938 -0.7775000E-01 0.3877000 
1 1 1 12 8  36 o 5.9200  0.4087 0.7744000      0.8174000 
1 1 1 12 8  37 o 8.8190  0.2317 -0.9370000     0.4634000 
1 1 1 12 8  38 o 10.390  0.2493 -0.5526000     0.4986000 
1 1 1 12 8  39 o 8.4250  0.2838 0.3893000      0.5676000 
1 1 1 12 8  40 o 11.510  0.1991 -0.1798000     0.3982000 
1 1 1 12 8  41 o 14.470  0.1762 -0.3589000     0.3524000 
1 1 1 12 8  42 o 8.6650  0.1922 -0.5758000E-01 0.3844000 
1 1 1 12 8  43 o 3.4440  0.4560 1.012000       0.9120000 
1 1 1 12 8  44 o 7.0870  0.2274 0.5378000      0.4548000 
1 1 1 12 8  45 o 5.0050  0.3138 0.2363000      0.6276000 
1 1 1 12 8  46 o 7.3480  0.2811 0.7179000E-01  0.5622000 
1 1 1 12 8  47 o 9.5600  0.2290 0.1222000      0.4580000 
1 1 1 12 8  48 o 6.0480  0.3295 0.6060000      0.6590000 
1 1 1 12 8  49 o 3.6960  0.5329 0.4492000      1.066000  
1 1 1 12 8  50 f 2.6510  0.6013 -0.6296000     1.203000  
1 1 1 12 8  51 o 4.8210  0.4408 -0.4482000     0.8817000 
1 1 1 12 8  52 o 4.1840  0.5055 1.457000       1.011000  
1 1 1 12 8  53 o 4.5070  0.3893 0.1425000      0.7785000 
1 1 1 12 8  54 o 6.1690  0.2733 -0.4390000     0.5466000 
1 1 1 12 8  55 o 2.8180  0.4898 -1.622000      0.9796000 
1 1 1 12 8  56 o 7.4310  0.2227 0.1358000      0.4453000 
1 1 1 12 8  57 o 7.5960  0.2227 0.5359000      0.4455000 
1 1 1 12 8  58 o 9.9880  0.1843 -0.2597000     0.3685000 
1 1 1 12 8  59 o 7.2230  0.2614 0.2256000      0.5228000 
1 1 1 12 8  60 o 3.3640  0.5358 -0.7968000     1.072000  
1 1 1 12 8  61 o 1.9070  0.5466 0.2376000      1.093000  
1 1 1 12 8  62 o 2.5740  0.5921 0.4458000      1.184000  
1 1 1 12 8  63 o 3.0180  0.5477 -1.305000      1.095000  
1 1 1 12 8  64 o 5.3510  0.3273 0.1932000      0.6546000 
1 1 1 12 8  65 o 6.4610  0.2918 0.8393000      0.5836000 
1 1 1 12 8  66 o 2.2050  0.5901 -0.6656000     1.180000  
1 1 1 12 8  67 o 3.4030  0.5502 0.1121000      1.100000  
1 1 1 12 8  68 o 5.6380  0.3797 -1.766000      0.7595000 
1 1 1 12 9  0  o 14.240  0.1727 0.000000       0.000000  
1 1 1 12 9  1  o 11.890  0.1548 0.4697000      0.3095000 
1 1 1 12 9  2  o 9.6100  0.1815 -0.6084000E-01 0.3631000 
1 1 1 12 9  3  o 10.770  0.1316 0.5133000E-02  0.2632000 
1 1 1 12 9  4  o 9.8240  0.1363 0.3117000E-01  0.2725000 
1 1 1 12 9  5  f 16.440  0.1334 0.2285000      0.2667000 
1 1 1 12 9  6  o 8.7150  0.1626 0.2002000      0.3253000 
1 1 1 12 9  7  o 7.3420  0.1714 0.3310000      0.3427000 
1 1 1 12 9  8  o 18.030  0.1473 -0.2282000     0.2947000 
1 1 1 12 9  9  o 18.970  0.1404 0.1232000      0.2808000 
1 1 1 12 9  10 o 7.6230  0.1561 -0.7621000E-01 0.3122000 
1 1 1 12 9  11 o 13.530  0.1178 0.1559000      0.2357000 
1 1 1 12 9  12 o 19.880  0.1154 0.8271000E-01  0.2308000 
1 1 1 12 9  13 o 7.9920  0.1450 0.3900000E-01  0.2901000 
1 1 1 12 9  14 o 3.2260  0.3132 0.3123000      0.6263000 
1 1 1 12 9  15 o 11.510  0.1243 -0.3294000     0.2486000 
1 1 1 12 9  16 o 7.4160  0.1597 0.1256000      0.3194000 
1 1 1 12 9  17 o 10.740  0.1174 -0.3396000     0.2348000 
1 1 1 12 9  18 o 13.060  0.1175 -0.8969000E-01 0.2350000 
1 1 1 12 9  19 o 16.370  0.1209 0.1664000E-01  0.2418000 
1 1 1 12 9  20 o 22.760  0.1294 -0.1403000     0.2588000 
1 1 1 12 9  21 o 9.5850  0.1626 0.5424000      0.3252000 
1 1 1 12 9  22 o 2.3000  0.4867 -1.221000      0.9734000 
1 1 1 12 9  23 o 9.0220  0.1653 0.1022000      0.3306000 
1 1 1 12 9  24 o 4.3650  0.3181 0.1238000      0.6362000 
1 1 1 12 9  25 o 10.740  0.1558 0.6657000      0.3116000 
1 1 1 12 9  26 o 7.8780  0.1943 -0.2281000     0.3887000 
1 1 1 12 9  27 o 21.610  0.1516 0.1074000      0.3033000 
1 1 1 12 9  28 o 16.830  0.1458 -0.1617000     0.2915000 
1 1 1 12 9  29 o 12.190  0.1555 0.4492000      0.3109000 
1 1 1 12 9  30 o 6.2820  0.2526 -0.8653000     0.5053000 
1 1 1 12 9  31 o 12.700  0.2029 -0.2670000     0.4058000 
1 1 1 12 9  32 o 15.220  0.1653 0.3549000      0.3307000 
1 1 1 12 9  33 o 21.160  0.1748 -0.2025000     0.3497000 
1 1 1 12 9  34 o 8.2000  0.2970 -0.6172000     0.5939000 
1 1 1 12 9  35 o 15.490  0.1840 0.1203000      0.3679000 
1 1 1 12 9  36 o 24.860  0.1664 0.2939000      0.3327000 
1 1 1 12 9  37 o 5.8910  0.6331 ?              ?         
1 1 1 12 9  38 o 10.510  0.1526 0.5683000E-01  0.3052000 
1 1 1 12 9  39 o 6.0220  0.2273 0.9133000      0.4546000 
1 1 1 12 9  40 o 18.060  0.1307 0.2196000      0.2614000 
1 1 1 12 9  41 o 6.2260  0.2349 0.5886000      0.4698000 
1 1 1 12 9  42 o 1.8150  0.5097 0.3973000      1.019000  
1 1 1 12 9  43 o 10.510  0.1590 0.2972000      0.3180000 
1 1 1 12 9  44 o 15.010  0.1365 0.2343000      0.2730000 
1 1 1 12 9  45 o 4.4120  0.3419 -0.1801000     0.6838000 
1 1 1 12 9  46 o 7.8480  0.2029 -0.5666000E-01 0.4059000 
1 1 1 12 9  47 o 15.140  0.1391 0.2135000      0.2782000 
1 1 1 12 9  48 o 4.0440  0.4843 0.5847000      0.9686000 
1 1 1 12 9  49 o 13.250  0.1855 0.6884000E-01  0.3709000 
1 1 1 12 9  50 o 10.980  0.2109 -0.2000000     0.4217000 
1 1 1 12 9  51 o 1.7930  0.5433 -0.2143000     1.087000  
1 1 1 12 9  52 o 2.2310  0.5460 -0.4717000     1.092000  
1 1 1 12 9  53 o 5.2880  0.3807 -0.6406000     0.7613000 
1 1 1 12 9  54 o 10.190  0.2430 0.5049000      0.4861000 
1 1 1 12 9  55 o 8.0110  0.2193 -0.1232000     0.4386000 
1 1 1 12 9  56 o 5.0320  0.3076 0.9766000E-03  0.6152000 
1 1 1 12 9  57 o 4.8560  0.3291 -0.1184000     0.6583000 
1 1 1 12 9  58 o 1.9730  0.5561 -0.2818000     1.112000  
1 1 1 12 9  59 o 3.5310  0.5374 0.7181000      1.075000  
1 1 1 12 9  60 o 4.1210  0.4285 0.1766000      0.8569000 
1 1 1 12 9  61 o 5.5910  0.3157 0.3919000      0.6314000 
1 1 1 12 9  62 o 2.3360  0.5670 0.9116000      1.134000  
1 1 1 12 9  63 o 3.7480  0.4885 1.581000       0.9770000 
1 1 1 12 9  64 o 10.410  0.1960 -0.3685000     0.3921000 
1 1 1 12 9  65 f 5.2170  0.3505 -0.9606000     0.7011000 
1 1 1 12 9  66 o 1.8020  0.5352 -0.5193000     1.070000  
1 1 1 12 9  67 o 7.2800  0.2861 0.3309000      0.5722000 
1 1 1 12 9  68 o 1.5950  0.5141 0.6852000      1.028000  
1 1 1 12 10 0  o 7.5770  0.2088 0.000000       0.000000  
1 1 1 12 10 1  f 7.7580  0.1455 0.1251000      0.2909000 
1 1 1 12 10 2  o 2.5070  0.4068 -1.397000      0.8136000 
1 1 1 12 10 3  o 16.820  0.1162 0.8489000E-01  0.2323000 
1 1 1 12 10 4  o 10.070  0.1388 0.7346000E-01  0.2775000 
1 1 1 12 10 5  o 14.380  0.1208 -0.1768000     0.2416000 
1 1 1 12 10 6  o 5.4870  0.2247 -0.4446000     0.4495000 
1 1 1 12 10 7  o 7.0410  0.1843 -0.1332000     0.3686000 
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1 1 1 12 10 10 o 5.8890  0.2585 -0.6018000     0.5171000 
1 1 1 12 10 11 o 3.1700  0.3505 -0.3767000E-01 0.7011000 
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1 1 1 12 10 13 o 1.8270  0.4070 0.9689000      0.8140000 
1 1 1 12 10 14 o 14.180  0.1202 -0.1016000     0.2404000 
1 1 1 12 10 15 o 7.5220  0.1628 0.2040000      0.3256000 
1 1 1 12 10 16 o 11.840  0.1228 0.2704000      0.2455000 
1 1 1 12 10 17 o 12.010  0.1196 0.4335000      0.2391000 
1 1 1 12 10 18 o 7.0380  0.1586 0.1614000      0.3172000 
1 1 1 12 10 19 o 22.370  0.1257 -0.1401000     0.2515000 
1 1 1 12 10 20 o 9.7720  0.1369 0.5019000      0.2738000 
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1 1 1 12 10 23 o 3.7090  0.4055 0.2090000      0.8110000 
1 1 1 12 10 24 o 13.910  0.1373 -0.3703000     0.2747000 
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1 1 1 12 10 27 o 9.9190  0.1882 -0.1369000     0.3764000 
1 1 1 12 10 28 o 19.990  0.1450 0.1112000      0.2901000 
1 1 1 12 10 29 o 15.270  0.1562 0.3438000      0.3124000 
1 1 1 12 10 30 o 16.710  0.1390 -0.1257000     0.2779000 
1 1 1 12 10 31 o 30.310  0.1456 0.2779000      0.2913000 
1 1 1 12 10 32 o 12.240  0.1605 0.1654000      0.3210000 
1 1 1 12 10 33 o 7.0830  0.3418 -1.386000      0.6837000 
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1 1 1 12 10 39 o 5.8110  0.3421 -0.5510000     0.6842000 
1 1 1 12 10 40 o 6.6650  0.1895 0.6520000      0.3790000 
1 1 1 12 10 41 o 11.560  0.1339 0.5575000      0.2679000 
1 1 1 12 10 42 o 17.560  0.1228 0.6226000      0.2456000 
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1 1 1 12 10 44 o 13.820  0.1355 0.1838000      0.2709000 
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1 1 1 12 10 46 o 3.4300  0.4246 -0.4860000     0.8492000 
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1 1 1 12 10 50 o 6.0850  0.2481 0.1643000      0.4963000 
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1 1 1 12 10 53 o 2.9560  0.6205 -0.4021000E-01 1.241000  
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1 1 1 12 10 55 o 5.3760  0.4596 1.851000       0.9192000 
1 1 1 12 10 56 o 6.3140  0.3582 0.9876000      0.7165000 
1 1 1 12 10 57 o 7.3300  0.3454 1.833000       0.6909000 
1 1 1 12 10 58 o 4.3500  0.4288 1.670000       0.8576000 
1 1 1 12 10 59 o 10.760  0.1845 0.2087000      0.3689000 
1 1 1 12 10 60 o 4.1520  0.4182 0.3098000      0.8365000 
1 1 1 12 10 61 o 4.8740  0.3535 0.6947000      0.7069000 
1 1 1 12 10 62 o 5.7610  0.2975 0.3822000      0.5951000 
1 1 1 12 10 63 o 3.1950  0.5292 -0.7575000     1.058000  
1 1 1 12 10 64 o 9.4460  0.2098 0.5712000      0.4195000 
1 1 1 12 10 65 o 4.3970  0.4180 0.7808000      0.8359000 
1 1 1 12 10 66 o 6.1360  0.3085 0.3556000      0.6170000 
1 1 1 12 10 67 o 4.4000  0.4539 -0.7743000     0.9077000 
1 1 1 12 11 0  o 4.8510  0.3155 0.000000       0.000000  
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1 1 1 12 11 2  o 5.8340  0.1892 0.3954000      0.3785000 
1 1 1 12 11 3  o 17.380  0.1108 -0.6353000E-01 0.2215000 
1 1 1 12 11 4  o 2.5380  0.4529 1.041000       0.9057000 
1 1 1 12 11 5  o 9.8660  0.1388 0.5919000E-01  0.2776000 
1 1 1 12 11 6  o 7.2260  0.1867 0.5083000      0.3734000 
1 1 1 12 11 7  o 9.0230  0.1607 -0.3988000     0.3214000 
1 1 1 12 11 8  o 18.830  0.1215 0.3301000      0.2430000 
1 1 1 12 11 9  o 5.2500  0.2394 0.2434000      0.4788000 
1 1 1 12 11 10 o 11.290  0.1434 0.5987000E-01  0.2868000 
1 1 1 12 11 11 o 6.2340  0.2017 0.5002000      0.4034000 
1 1 1 12 11 12 o 1.4610  0.4273 0.4522000      0.8546000 
1 1 1 12 11 13 o 8.3770  0.1424 -0.8149000E-01 0.2847000 
1 1 1 12 11 14 o 18.090  0.1104 0.6471000      0.2207000 
1 1 1 12 11 15 o 8.4060  0.1554 0.1341000      0.3107000 
1 1 1 12 11 16 f 21.250  0.1457 -0.1187000     0.2913000 
1 1 1 12 11 17 o 11.400  0.1256 -0.5367000E-01 0.2511000 
1 1 1 12 11 18 o 35.340  0.1651 0.6754000      0.3302000 
1 1 1 12 11 19 o 10.550  0.1234 0.6230000      0.2468000 
1 1 1 12 11 20 o 16.410  0.1129 0.9607000      0.2259000 
1 1 1 12 11 21 o 12.480  0.1359 0.3913000      0.2719000 
1 1 1 12 11 22 o 14.200  0.1212 0.5854000      0.2424000 
1 1 1 12 11 23 o 40.840  0.1817 -0.2143000E-01 0.3634000 
1 1 1 12 11 24 o 8.1050  0.2667 -0.3679000     0.5333000 
1 1 1 12 11 25 o 27.210  0.1437 0.3016000E-01  0.2874000 
1 1 1 12 11 26 o 13.110  0.1456 -0.3033000     0.2912000 
1 1 1 12 11 27 o 19.980  0.1525 0.3071000      0.3051000 
1 1 1 12 11 28 o 8.6780  0.2437 -0.2067000     0.4874000 
1 1 1 12 11 29 o 20.940  0.1540 0.3516000E-01  0.3080000 
1 1 1 12 11 30 o 2.2260  0.6149 0.9803000E-01  1.230000  
1 1 1 12 11 31 f 12.080  0.1966 -0.4915000E-02 0.3932000 
1 1 1 12 11 32 o 16.770  0.1689 0.2425000      0.3378000 
1 1 1 12 11 33 o 21.990  0.1587 0.2596000      0.3174000 
1 1 1 12 11 34 o 12.100  0.2111 -0.2802000     0.4221000 
1 1 1 12 11 35 o 3.8420  0.6717 0.3719000      1.343000  
1 1 1 12 11 36 o 7.1720  0.3816 0.5766000      0.7631000 
1 1 1 12 11 37 f 9.7080  0.2802 0.2247000      0.5604000 
1 1 1 12 11 38 o 5.9460  0.4441 1.097000       0.8883000 
1 1 1 12 11 39 o 17.800  0.1498 0.1115000      0.2997000 
1 1 1 12 11 40 o 9.4110  0.2101 0.3491000      0.4203000 
1 1 1 12 11 41 o 7.1160  0.2611 -0.3435000     0.5221000 
1 1 1 12 11 42 o 14.450  0.1200 0.1609000      0.2400000 
1 1 1 12 11 43 o 20.100  0.1224 0.9141000E-01  0.2449000 
1 1 1 12 11 44 o 8.5490  0.2368 1.274000       0.4737000 
1 1 1 12 11 45 o 2.2240  0.5031 0.7963000E-01  1.006000  
1 1 1 12 11 46 o 13.770  0.1682 -0.6202000E-01 0.3363000 
1 1 1 12 11 47 o 1.8540  0.4969 -0.1888000     0.9938000 
1 1 1 12 11 48 f 11.170  0.1441 0.3825000      0.2883000 
1 1 1 12 11 49 o 5.0440  0.2756 0.5941000E-01  0.5512000 
1 1 1 12 11 50 f 9.2410  0.1677 0.1018000E-01  0.3355000 
1 1 1 12 11 51 o 8.3320  0.1809 0.2851000E-01  0.3617000 
1 1 1 12 11 52 o 5.5720  0.2523 -0.6348000     0.5046000 
1 1 1 12 11 53 o 8.4430  0.1960 0.2076000E-02  0.3920000 
1 1 1 12 11 54 o 4.9900  0.3061 -0.3258000     0.6121000 
1 1 1 12 11 55 o 1.9690  0.6571 1.525000       1.314000  
1 1 1 12 11 56 o 2.6480  0.6884 -1.750000      1.377000  
1 1 1 12 11 57 o 8.1780  0.2900 0.4469000      0.5799000 
1 1 1 12 11 58 o 8.3750  0.2111 -0.3329000E-01 0.4223000 
1 1 1 12 11 59 o 6.8240  0.2404 0.2779000      0.4809000 
1 1 1 12 11 60 o 2.1560  0.5517 0.1223000      1.103000  
1 1 1 12 11 61 o 7.7560  0.2275 0.4618000      0.4549000 
1 1 1 12 11 62 o 8.9790  0.2095 0.3551000      0.4191000 
1 1 1 12 11 63 o 4.8680  0.3608 0.9074000E-01  0.7215000 
1 1 1 12 11 64 o 3.4680  0.5126 -0.8454000     1.025000  
1 1 1 12 11 65 o 2.6630  0.5815 0.7556000      1.163000  
1 1 1 12 11 66 o 1.4250  0.4777 -0.1873000     0.9554000 
1 1 1 12 11 67 o 5.8650  0.3504 -0.6433000E-01 0.7008000 
1 1 1 12 12 0  o 6.9170  0.3500 0.000000       0.000000  
1 1 1 12 12 1  o 19.700  0.1613 0.000000       0.000000  
1 1 1 12 12 2  o 6.7470  0.2495 0.000000       0.000000  
1 1 1 12 12 3  o 18.500  0.1615 0.000000       0.000000  
1 1 1 12 12 4  o 13.680  0.1673 0.000000       0.000000  
1 1 1 12 12 5  o 12.780  0.1945 0.000000       0.000000  
1 1 1 12 12 6  o 1.8400  0.8230 0.000000       0.000000  
1 1 1 12 12 7  o 23.630  0.1919 0.000000       0.000000  
1 1 1 12 12 8  o 9.0690  0.2420 0.000000       0.000000  
1 1 1 12 12 9  o 16.300  0.1891 0.000000       0.000000  
1 1 1 12 12 10 o 14.860  0.1642 0.000000       0.000000  
1 1 1 12 12 11 o 2.0380  0.9884 0.000000       0.000000  
1 1 1 12 12 12 o 36.380  0.3037 0.000000       0.000000  
1 1 1 12 12 13 o 10.180  0.1863 0.000000       0.000000  
1 1 1 12 12 14 o 6.2960  0.2813 0.000000       0.000000  
1 1 1 12 12 15 o 22.740  0.1828 0.000000       0.000000  
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1 1 1 12 12 17 o 6.7710  0.2385 0.000000       0.000000  
1 1 1 12 12 18 o 10.300  0.1724 0.000000       0.000000  
1 1 1 12 12 19 o 18.280  0.1482 0.000000       0.000000  
1 1 1 12 12 20 o 29.650  0.2010 0.000000       0.000000  
1 1 1 12 12 21 o 13.650  0.1888 0.000000       0.000000  
1 1 1 12 12 22 o 10.960  0.1947 0.000000       0.000000  
1 1 1 12 12 23 o 1.0550  0.7329 0.000000       0.000000  
1 1 1 12 12 24 o 7.9270  0.4218 0.000000       0.000000  
1 1 1 12 12 25 o 17.070  0.2269 0.000000       0.000000  
1 1 1 12 12 26 o 18.350  0.2253 0.000000       0.000000  
1 1 1 12 12 27 o 10.580  0.3041 0.000000       0.000000  
1 1 1 12 12 28 o 5.8370  0.5059 0.000000       0.000000  
1 1 1 12 12 29 o 9.0330  0.3534 -0.000000      0.000000  
1 1 1 12 12 30 o 12.600  0.2791 0.000000       0.000000  
1 1 1 12 12 31 o 11.530  0.2960 0.000000       0.000000  
1 1 1 12 12 32 o 5.4490  0.5841 0.000000       0.000000  
1 1 1 12 12 33 f 15.970  0.2926 0.000000       0.000000  
1 1 1 12 12 34 o 5.4440  0.7183 0.000000       0.000000  
1 1 1 12 12 35 o 9.9140  0.3478 0.000000       0.000000  
1 1 1 12 12 36 o 11.820  0.3401 0.000000       0.000000  
1 1 1 12 12 37 o 10.850  0.3674 0.000000       0.000000  
1 1 1 12 12 38 o 2.3230  1.1470 0.000000       0.000000  
1 1 1 12 12 39 o 1.5200  0.9663 0.000000       0.000000  
1 1 1 12 12 40 o 6.5700  0.5084 0.000000       0.000000  
1 1 1 12 12 41 o 5.9390  0.5625 0.000000       0.000000  
1 1 1 12 12 42 o 5.8340  0.5631 0.000000       0.000000  
1 1 1 12 12 43 o 9.1970  0.1873 0.000000       0.000000  
1 1 1 12 12 44 o 7.0480  0.4708 0.000000       0.000000  
1 1 1 12 12 45 o 0.9692  0.6419 0.000000       0.000000  
1 1 1 12 12 46 o 10.480  0.1950 0.000000       0.000000  
1 1 1 12 12 47 o 16.310  0.1742 0.000000       0.000000  
1 1 1 12 12 48 o 7.3840  0.2528 0.000000       0.000000  
1 1 1 12 12 49 o 7.5210  0.2559 0.000000       0.000000  
1 1 1 12 12 50 o 2.6530  0.8071 0.000000       0.000000  
1 1 1 12 12 51 o 3.8800  0.5177 0.000000       0.000000  
1 1 1 12 12 52 o 1.3730  0.8079 0.000000       0.000000  
1 1 1 12 12 53 o 15.550  0.2000 0.000000       0.000000  
1 1 1 12 12 54 o 10.080  0.2558 0.000000       0.000000  
1 1 1 12 12 55 o 5.2640  0.4322 0.000000       0.000000  
1 1 1 12 12 56 o 11.090  0.2227 0.000000       0.000000  
1 1 1 12 12 57 o 9.4630  0.5002 0.000000       0.000000  
1 1 1 12 12 58 o 1.0990  0.7743 0.000000       0.000000  
1 1 1 12 12 59 o 4.9750  0.7340 0.000000       0.000000  
1 1 1 12 12 60 o 0.9769  0.6741 0.000000       0.000000  
1 1 1 12 12 61 o 2.7820  0.9448 0.000000       0.000000  
1 1 1 12 12 62 o 6.3210  0.4062 0.000000       0.000000  
1 1 1 12 12 63 o 1.2990  0.8319 0.000000       0.000000  
1 1 1 12 12 64 o 1.3360  0.9012 0.000000       0.000000  
1 1 1 12 12 65 o 1.4980  0.9111 0.000000       0.000000  
1 1 1 12 12 66 o 7.6220  0.3853 0.000000       0.000000  
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1 1 1 13 0  2  o 4.0010  0.3237 0.000000       0.000000  
1 1 1 13 0  3  o 4.9480  0.2711 0.000000       0.000000  
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1 1 1 13 0  5  o 0.8096  0.5450 0.000000       0.000000  
1 1 1 13 0  6  f 22.950  0.1856 0.000000       0.000000  
1 1 1 13 0  7  o 7.1510  0.2397 0.000000       0.000000  
1 1 1 13 0  8  o 5.0730  0.3219 0.000000       0.000000  
1 1 1 13 0  9  o 28.380  0.2075 0.000000       0.000000  
1 1 1 13 0  10 o 1.0870  0.7087 0.000000       0.000000  
1 1 1 13 0  11 o 15.290  0.1794 0.000000       0.000000  
1 1 1 13 0  12 o 9.6630  0.2517 0.000000       0.000000  
1 1 1 13 0  13 o 16.420  0.2217 0.000000       0.000000  
1 1 1 13 0  14 o 24.910  0.2405 0.000000       0.000000  
1 1 1 13 0  15 o 22.390  0.2331 0.000000       0.000000  
1 1 1 13 0  16 o 5.9640  0.3781 0.000000       0.000000  
1 1 1 13 0  17 o 24.050  0.2427 0.000000       0.000000  
1 1 1 13 0  18 o 1.5550  0.9904 0.000000       0.000000  
1 1 1 13 0  19 o 14.890  0.3504 0.000000       0.000000  
1 1 1 13 0  20 f 7.0820  0.5263 0.000000       0.000000  
1 1 1 13 0  21 o 2.1400  1.0070 0.000000       0.000000  
1 1 1 13 0  22 o 6.6150  0.3774 0.000000       0.000000  
1 1 1 13 0  23 o 22.170  0.2366 0.000000       0.000000  
1 1 1 13 0  24 o 1.0940  0.7202 0.000000       0.000000  
1 1 1 13 0  25 o 14.860  0.2018 0.000000       0.000000  
1 1 1 13 0  26 o 18.590  0.1984 0.000000       0.000000  
1 1 1 13 0  27 o 5.8610  0.5075 0.000000       0.000000  
1 1 1 13 0  28 o 27.710  0.2763 0.000000       0.000000  
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1 1 1 13 0  30 o 2.7540  1.1390 0.000000       0.000000  
1 1 1 13 0  31 o 6.3170  0.5505 0.000000       0.000000  
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1 1 1 13 0  33 o 4.1780  0.5500 0.000000       0.000000  
1 1 1 13 0  34 o 9.3490  0.2584 0.000000       0.000000  
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1 1 1 13 0  36 o 5.4230  0.4290 0.000000       0.000000  
1 1 1 13 0  37 o 13.760  0.2118 0.000000       0.000000  
1 1 1 13 0  38 o 5.8630  0.4216 0.000000       0.000000  
1 1 1 13 0  39 o 14.360  0.2146 0.000000       0.000000  
1 1 1 13 0  40 o 10.880  0.2545 0.000000       0.000000  
1 1 1 13 0  41 o 22.120  0.2240 0.000000       0.000000  
1 1 1 13 0  42 o 10.870  0.2696 0.000000       0.000000  
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1 1 1 13 0  54 o 5.4000  0.4277 0.000000       0.000000  
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1 1 1 13 0  63 o 3.3180  0.8188 0.000000       0.000000  
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1 1 1 13 0  66 o 4.5380  0.6721 0.000000       0.000000  
1 1 1 13 0  67 o 2.1770  1.0690 0.000000       0.000000  
1 1 1 13 0  68 o 1.3370  0.8537 0.000000       0.000000  
1 1 1 13 0  69 o 8.3800  0.3243 0.000000       0.000000  
1 1 1 13 1  0  o 3.0780  0.4341 0.000000       0.000000  
1 1 1 13 1  1  o 10.590  0.1135 0.3178000E-01  0.2270000 
1 1 1 13 1  2  f 6.3520  0.1551 -0.3460000     0.3103000 
1 1 1 13 1  3  o 14.150  0.1054 -0.1261000     0.2107000 
1 1 1 13 1  4  o 16.440  0.1131 -0.1926000     0.2261000 
1 1 1 13 1  5  o 14.730  0.1144 -0.1249000     0.2288000 
1 1 1 13 1  6  o 12.870  0.1178 -0.3800000E-01 0.2355000 
1 1 1 13 1  7  o 4.4740  0.2332 0.5622000      0.4664000 
1 1 1 13 1  8  o 7.5250  0.1658 0.3507000E-01  0.3317000 
1 1 1 13 1  9  o 15.250  0.1403 -0.9374000E-01 0.2807000 
1 1 1 13 1  10 o 17.750  0.1401 0.3148000      0.2802000 
1 1 1 13 1  11 o 4.4270  0.3078 0.9027000      0.6156000 
1 1 1 13 1  12 o 1.6690  0.4898 0.4470000      0.9795000 
1 1 1 13 1  13 o 9.2980  0.1691 0.6945000E-01  0.3381000 
1 1 1 13 1  14 o 8.8710  0.1935 0.2958000      0.3869000 
1 1 1 13 1  15 o 2.4980  0.5286 0.4954000      1.057000  
1 1 1 13 1  16 o 7.2760  0.2259 -0.5322000     0.4518000 
1 1 1 13 1  17 o 11.600  0.1793 0.3459000      0.3586000 
1 1 1 13 1  18 o 13.830  0.2486 0.6233000      0.4971000 
1 1 1 13 1  19 o 11.980  0.2644 -0.8414000     0.5288000 
1 1 1 13 1  20 o 18.200  0.2471 -0.3744000     0.4942000 
1 1 1 13 1  21 o 20.810  0.1743 0.1102000      0.3486000 
1 1 1 13 1  22 o 20.740  0.2040 -0.2698000     0.4079000 
1 1 1 13 1  23 o 5.8500  0.3799 0.3287000      0.7599000 
1 1 1 13 1  24 o 2.6320  0.5895 -0.4330000     1.179000  
1 1 1 13 1  25 o 9.9000  0.1973 -0.6574000     0.3946000 
1 1 1 13 1  26 o 11.020  0.1895 -0.4145000     0.3789000 
1 1 1 13 1  27 o 18.340  0.1429 -0.1409000     0.2859000 
1 1 1 13 1  28 o 10.750  0.1768 -0.6283000     0.3536000 
1 1 1 13 1  29 o 13.040  0.1623 -0.7949000     0.3246000 
1 1 1 13 1  30 o 13.790  0.1623 -0.1251000     0.3245000 
1 1 1 13 1  31 o 8.8500  0.1988 -0.1508000     0.3975000 
1 1 1 13 1  32 o 8.8540  0.2060 -1.071000      0.4119000 
1 1 1 13 1  33 o 12.050  0.1529 0.2680000      0.3058000 
1 1 1 13 1  34 o 17.010  0.1475 0.2041000      0.2950000 
1 1 1 13 1  35 o 16.870  0.1487 0.3135000      0.2974000 
1 1 1 13 1  36 o 5.9250  0.3062 0.3024000      0.6125000 
1 1 1 13 1  37 o 18.950  0.1497 -0.2197000     0.2993000 
1 1 1 13 1  38 o 4.5960  0.3752 0.7365000      0.7505000 
1 1 1 13 1  39 o 4.6920  0.3704 0.6669000      0.7408000 
1 1 1 13 1  40 o 11.620  0.1825 -0.2104000     0.3649000 
1 1 1 13 1  41 o 2.0050  0.5746 0.3670000      1.149000  
1 1 1 13 1  42 o 23.220  0.1490 -0.4996000     0.2980000 
1 1 1 13 1  43 o 10.390  0.2120 -1.143000      0.4241000 
1 1 1 13 1  44 o 14.210  0.1979 0.6279000      0.3957000 
1 1 1 13 1  45 o 10.810  0.2128 0.3104000      0.4255000 
1 1 1 13 1  46 f 4.6460  0.4664 -1.211000      0.9327000 
1 1 1 13 1  47 o 9.5450  0.2303 0.9639000E-01  0.4606000 
1 1 1 13 1  48 o 4.3070  0.4559 0.1233000      0.9117000 
1 1 1 13 1  49 o 4.7400  0.3945 -0.3032000     0.7890000 
1 1 1 13 1  50 o 12.570  0.1666 -0.3650000     0.3333000 
1 1 1 13 1  51 o 11.220  0.1777 0.1917000      0.3553000 
1 1 1 13 1  52 o 10.110  0.1904 0.2308000      0.3808000 
1 1 1 13 1  53 o 6.2260  0.2809 1.133000       0.5618000 
1 1 1 13 1  54 o 6.8010  0.2632 -0.6605000     0.5264000 
1 1 1 13 1  55 o 9.2640  0.2263 0.4917000      0.4527000 
1 1 1 13 1  56 o 9.4240  0.2385 -0.2274000     0.4769000 
1 1 1 13 1  57 f 9.3440  0.2092 0.3720000      0.4185000 
1 1 1 13 1  58 o 10.010  0.2087 0.2298000      0.4175000 
1 1 1 13 1  59 o 1.8920  0.4860 -1.787000      0.9720000 
1 1 1 13 1  60 o 2.2480  0.5812 0.3756000      1.162000  
1 1 1 13 1  61 o 4.8060  0.3823 0.2367000      0.7647000 
1 1 1 13 1  62 o 8.5810  0.2287 -1.046000      0.4574000 
1 1 1 13 1  63 o 9.0030  0.2241 0.6113000      0.4483000 
1 1 1 13 1  64 o 2.9660  0.5728 -1.364000      1.146000  
1 1 1 13 1  65 o 7.3820  0.3410 -0.3795000     0.6820000 
1 1 1 13 1  66 o 5.7350  0.3679 0.8165000E-01  0.7357000 
1 1 1 13 1  67 o 6.3900  0.3009 0.5911000      0.6019000 
1 1 1 13 1  68 o 8.7370  0.2491 0.5918000      0.4982000 
1 1 1 13 1  69 o 3.9100  0.5619 1.504000       1.124000  
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1 1 1 13 2  1  o 9.3190  0.1211 -0.2572000     0.2421000 
1 1 1 13 2  2  o 6.7770  0.1664 0.1530000      0.3328000 
1 1 1 13 2  3  o 10.740  0.1218 0.1026000      0.2437000 
1 1 1 13 2  4  o 12.640  0.1159 -0.2070000     0.2318000 
1 1 1 13 2  5  o 8.4700  0.1389 -0.4183000     0.2779000 
1 1 1 13 2  6  o 12.140  0.1183 -0.3638000     0.2365000 
1 1 1 13 2  7  o 22.920  0.1405 -0.1633000     0.2810000 
1 1 1 13 2  8  o 14.380  0.1244 0.8616000E-01  0.2489000 
1 1 1 13 2  9  o 18.190  0.1391 0.9711000E-01  0.2782000 
1 1 1 13 2  10 o 13.710  0.1427 -0.2434000     0.2854000 
1 1 1 13 2  11 o 10.870  0.1720 -0.4647000     0.3440000 
1 1 1 13 2  12 o 14.580  0.1582 -0.2062000     0.3164000 
1 1 1 13 2  13 o 3.0890  0.4725 1.015000       0.9450000 
1 1 1 13 2  14 o 16.390  0.1583 -0.3814000E-01 0.3165000 
1 1 1 13 2  15 o 8.0670  0.2111 0.9502000E-01  0.4223000 
1 1 1 13 2  16 o 3.7860  0.4204 0.1838000      0.8408000 
1 1 1 13 2  17 o 2.8310  0.5393 -0.2958000     1.079000  
1 1 1 13 2  18 o 6.4080  0.4012 -1.144000      0.8023000 
1 1 1 13 2  19 o 7.9600  0.3456 0.4342000E-01  0.6912000 
1 1 1 13 2  20 o 2.6720  0.6360 0.1028000      1.272000  
1 1 1 13 2  21 o 10.930  0.1955 -0.6593000     0.3911000 
1 1 1 13 2  22 o 12.900  0.2180 0.3132000      0.4361000 
1 1 1 13 2  23 o 10.420  0.2827 ?              ?         
1 1 1 13 2  24 o 15.680  0.1530 0.3508000      0.3060000 
1 1 1 13 2  25 f 23.880  0.1440 0.3386000      0.2880000 
1 1 1 13 2  26 o 7.3490  0.2226 0.6306000      0.4452000 
1 1 1 13 2  27 o 13.350  0.1550 -0.7682000     0.3099000 
1 1 1 13 2  28 o 13.200  0.1594 -0.7357000     0.3188000 
1 1 1 13 2  29 o 12.220  0.1687 -0.6014000     0.3373000 
1 1 1 13 2  30 o 35.480  0.1669 -0.1729000E-01 0.3338000 
1 1 1 13 2  31 o 17.700  0.1428 0.2275000      0.2855000 
1 1 1 13 2  32 o 19.030  0.1425 0.3137000      0.2850000 
1 1 1 13 2  33 f 7.6520  0.2390 0.3540000      0.4780000 
1 1 1 13 2  34 o 5.8230  0.3063 -0.9775000E-01 0.6126000 
1 1 1 13 2  35 o 2.2530  0.5677 0.5812000      1.135000  
1 1 1 13 2  36 o 19.780  0.1476 -0.2453000     0.2952000 
1 1 1 13 2  37 o 16.990  0.1377 0.7670000E-01  0.2754000 
1 1 1 13 2  38 o 10.360  0.2122 0.6592000      0.4244000 
1 1 1 13 2  39 o 4.9200  0.4042 -0.5573000     0.8084000 
1 1 1 13 2  40 o 8.3260  0.2729 -0.8673000     0.5458000 
1 1 1 13 2  41 o 6.0040  0.3043 -0.1154000     0.6086000 
1 1 1 13 2  42 o 17.240  0.1563 0.1738000E-01  0.3126000 
1 1 1 13 2  43 o 7.0160  0.2860 0.4339000      0.5720000 
1 1 1 13 2  44 o 4.2940  0.4530 0.3485000      0.9060000 
1 1 1 13 2  45 o 5.8740  0.3464 -0.1235000E-01 0.6928000 
1 1 1 13 2  46 o 6.7030  0.3068 0.6868000      0.6137000 
1 1 1 13 2  47 o 9.4520  0.2159 0.6211000E-01  0.4318000 
1 1 1 13 2  48 o 6.5590  0.2869 0.3006000      0.5738000 
1 1 1 13 2  49 o 5.6860  0.3293 -0.1460000     0.6586000 
1 1 1 13 2  50 o 3.4830  0.4865 2.485000       0.9731000 
1 1 1 13 2  51 o 11.700  0.1740 0.1364000      0.3481000 
1 1 1 13 2  52 o 5.6360  0.3412 1.842000       0.6823000 
1 1 1 13 2  53 o 10.450  0.2032 0.7944000E-01  0.4063000 
1 1 1 13 2  54 o 6.7320  0.3151 -0.3385000     0.6302000 
1 1 1 13 2  55 o 3.3070  0.5370 -1.093000      1.074000  
1 1 1 13 2  56 o 4.2760  0.4660 0.2930000      0.9319000 
1 1 1 13 2  57 o 3.0610  0.5691 0.3726000      1.138000  
1 1 1 13 2  58 o 10.520  0.1899 -0.5316000     0.3797000 
1 1 1 13 2  59 o 5.1500  0.3767 0.4212000      0.7535000 
1 1 1 13 2  60 o 2.8730  0.5424 1.691000       1.085000  
1 1 1 13 2  61 o 7.9500  0.2242 0.2354000E-01  0.4483000 
1 1 1 13 2  62 o 1.8390  0.5411 -0.6264000E-01 1.082000  
1 1 1 13 2  63 o 2.7880  0.6183 -1.149000      1.237000  
1 1 1 13 2  64 o 6.6870  0.3132 -0.9355000     0.6263000 
1 1 1 13 2  65 o 2.1760  0.5466 1.184000       1.093000  
1 1 1 13 2  66 o 3.7100  0.5075 1.685000       1.015000  
1 1 1 13 2  67 o 3.2160  0.5498 1.364000       1.100000  
1 1 1 13 2  68 o 2.4320  0.5881 0.7214000      1.176000  
1 1 1 13 2  69 o 2.9040  0.5931 -0.8814000     1.186000  
1 1 1 13 3  0  o 19.110  0.1730 0.000000       0.000000  
1 1 1 13 3  1  o 10.020  0.1257 -0.1104000     0.2514000 
1 1 1 13 3  2  o 11.420  0.1195 -0.3040000     0.2389000 
1 1 1 13 3  3  o 23.740  0.1235 0.1438000      0.2470000 
1 1 1 13 3  4  o 6.1720  0.1727 -0.1044000     0.3454000 
1 1 1 13 3  5  o 9.5260  0.1300 -0.5835000E-01 0.2601000 
1 1 1 13 3  6  o 7.3310  0.1817 0.7894000      0.3634000 
1 1 1 13 3  7  o 5.3690  0.2416 -0.4685000E-01 0.4833000 
1 1 1 13 3  8  o 12.530  0.1432 0.6605000      0.2864000 
1 1 1 13 3  9  o 12.780  0.1432 0.8443000E-01  0.2864000 
1 1 1 13 3  10 o 5.9160  0.2275 0.6536000      0.4550000 
1 1 1 13 3  11 o 17.100  0.1410 -0.1748000     0.2820000 
1 1 1 13 3  12 o 10.400  0.1764 0.5648000      0.3528000 
1 1 1 13 3  13 f 18.500  0.1592 -0.4434000     0.3185000 
1 1 1 13 3  14 o 12.920  0.1512 -0.3075000E-01 0.3024000 
1 1 1 13 3  15 o 7.5540  0.2018 -0.7611000E-01 0.4035000 
1 1 1 13 3  16 o 6.5920  0.2302 -0.3521000     0.4604000 
1 1 1 13 3  17 o 14.550  0.1667 -0.2450000     0.3334000 
1 1 1 13 3  18 o 18.610  0.2443 -0.2107000     0.4885000 
1 1 1 13 3  19 o 13.050  0.2635 0.3943000      0.5270000 
1 1 1 13 3  20 o 6.5730  0.2884 0.1347000      0.5768000 
1 1 1 13 3  21 o 10.300  0.2068 -0.8414000     0.4135000 
1 1 1 13 3  22 o 14.800  0.2090 0.1933000      0.4181000 
1 1 1 13 3  23 o 5.4670  0.2829 0.8211000      0.5659000 
1 1 1 13 3  24 o 8.2140  0.2062 -0.4789000     0.4125000 
1 1 1 13 3  25 o 11.230  0.1639 0.9741000      0.3279000 
1 1 1 13 3  26 o 13.900  0.1489 -0.5995000E-01 0.2977000 
1 1 1 13 3  27 o 25.760  0.1506 -0.7259000E-01 0.3012000 
1 1 1 13 3  28 o 21.940  0.1465 -0.9567000E-01 0.2931000 
1 1 1 13 3  29 o 12.880  0.1641 -0.4049000     0.3281000 
1 1 1 13 3  30 o 18.540  0.1410 0.2748000      0.2819000 
1 1 1 13 3  31 o 16.530  0.1460 0.4380000E-01  0.2920000 
1 1 1 13 3  32 o 7.0350  0.2544 0.3232000      0.5089000 
1 1 1 13 3  33 o 5.3770  0.3443 0.8053000      0.6885000 
1 1 1 13 3  34 o 5.1080  0.3613 0.4430000      0.7226000 
1 1 1 13 3  35 o 5.6550  0.2800 0.2951000      0.5601000 
1 1 1 13 3  36 o 24.910  0.1346 -0.6158000E-01 0.2693000 
1 1 1 13 3  37 o 13.790  0.1592 0.9455000E-01  0.3185000 
1 1 1 13 3  38 o 15.700  0.1539 0.1462000      0.3079000 
1 1 1 13 3  39 o 9.5070  0.2161 -0.2946000E-01 0.4321000 
1 1 1 13 3  40 o 10.740  0.1930 -0.2013000     0.3859000 
1 1 1 13 3  41 f 16.350  0.1484 0.1391000      0.2968000 
1 1 1 13 3  42 o 10.330  0.2506 0.3102000      0.5012000 
1 1 1 13 3  43 o 11.160  0.2394 -0.9155000     0.4788000 
1 1 1 13 3  44 o 8.7560  0.2521 -0.7223000E-01 0.5043000 
1 1 1 13 3  45 o 2.9660  0.5852 -0.4560000     1.170000  
1 1 1 13 3  46 o 12.270  0.2012 0.9576000E-02  0.4025000 
1 1 1 13 3  47 o 22.820  0.1550 0.5396000      0.3101000 
1 1 1 13 3  48 o 3.9220  0.4928 -0.1806000     0.9855000 
1 1 1 13 3  49 o 9.7520  0.2366 -0.9775000     0.4733000 
1 1 1 13 3  50 o 3.4480  0.5753 -0.3040000     1.151000  
1 1 1 13 3  51 o 8.0960  0.2499 -0.3466000     0.4998000 
1 1 1 13 3  52 o 9.0230  0.2181 -0.3108000     0.4362000 
1 1 1 13 3  53 f 2.3960  0.6230 0.2608000      1.246000  
1 1 1 13 3  54 o 8.4400  0.2317 0.1975000      0.4633000 
1 1 1 13 3  55 o 7.2130  0.2830 -0.7058000     0.5660000 
1 1 1 13 3  56 o 4.2350  0.4167 -0.2714000E-01 0.8333000 
1 1 1 13 3  57 o 8.5460  0.2178 -0.4557000     0.4356000 
1 1 1 13 3  58 o 5.3950  0.3369 -1.117000      0.6738000 
1 1 1 13 3  59 o 4.3400  0.4042 0.4197000      0.8084000 
1 1 1 13 3  60 o 9.3050  0.2269 0.2527000      0.4537000 
1 1 1 13 3  61 o 5.1240  0.3663 0.2526000      0.7326000 
1 1 1 13 3  62 o 8.5930  0.2183 -0.6671000E-01 0.4365000 
1 1 1 13 3  63 o 6.1070  0.3046 0.5116000      0.6091000 
1 1 1 13 3  64 o 7.3560  0.2494 0.1142000      0.4989000 
1 1 1 13 3  65 o 7.7740  0.2549 0.6326000      0.5099000 
1 1 1 13 3  66 o 8.2090  0.2735 1.110000       0.5470000 
1 1 1 13 3  67 o 6.2070  0.3055 0.2304000E-01  0.6109000 
1 1 1 13 3  68 o 3.3860  0.5625 0.5109000      1.125000  
1 1 1 13 3  69 o 2.8800  0.6159 -0.5539000     1.232000  
1 1 1 13 4  0  o 2.7270  0.6020 0.000000       0.000000  
1 1 1 13 4  1  o 13.180  0.1221 0.2982000      0.2441000 
1 1 1 13 4  2  o 4.8980  0.2224 0.2734000E-01  0.4448000 
1 1 1 13 4  3  o 5.0310  0.2066 -0.3076000     0.4133000 
1 1 1 13 4  4  o 16.380  0.1363 0.1212000      0.2726000 
1 1 1 13 4  5  o 8.6950  0.1474 -0.3764000     0.2947000 
1 1 1 13 4  6  o 7.2230  0.1896 -0.4549000     0.3793000 
1 1 1 13 4  7  o 10.490  0.1525 -0.5743000     0.3049000 
1 1 1 13 4  8  o 5.1860  0.2430 0.9156000      0.4861000 
1 1 1 13 4  9  o 18.280  0.1404 -0.5514000     0.2808000 
1 1 1 13 4  10 o 7.9680  0.1838 0.3950000      0.3676000 
1 1 1 13 4  11 o 13.250  0.1281 -0.1426000E-01 0.2562000 
1 1 1 13 4  12 o 16.380  0.1255 -0.2104000E-02 0.2509000 
1 1 1 13 4  13 o 12.040  0.1538 -0.5312000     0.3077000 
1 1 1 13 4  14 o 8.3080  0.1883 -0.4519000     0.3767000 
1 1 1 13 4  15 o 5.0350  0.2882 0.3134000      0.5765000 
1 1 1 13 4  16 o 13.020  0.1563 0.1193000      0.3127000 
1 1 1 13 4  17 o 2.8290  0.5314 1.605000       1.063000  
1 1 1 13 4  18 o 7.8660  0.2886 -0.4498000     0.5772000 
1 1 1 13 4  19 o 3.7380  0.4911 -1.213000      0.9822000 
1 1 1 13 4  20 o 14.140  0.1640 1.197000       0.3280000 
1 1 1 13 4  21 o 30.610  0.2003 -0.8620000     0.4006000 
1 1 1 13 4  22 o 11.860  0.2247 0.2115000      0.4494000 
1 1 1 13 4  23 o 4.6020  0.5076 -1.100000      1.015000  
1 1 1 13 4  24 o 8.8310  0.1961 -0.7014000     0.3921000 
1 1 1 13 4  25 o 12.560  0.1535 -0.5314000     0.3070000 
1 1 1 13 4  26 o 4.3050  0.4437 0.6673000      0.8874000 
1 1 1 13 4  27 o 9.5370  0.1870 -0.2518000     0.3739000 
1 1 1 13 4  28 f 4.9900  0.3468 0.9884000      0.6935000 
1 1 1 13 4  29 o 18.450  0.1402 -0.2513000     0.2804000 
1 1 1 13 4  30 o 15.180  0.1484 0.1292000E-01  0.2969000 
1 1 1 13 4  31 o 16.240  0.1477 0.1062000      0.2954000 
1 1 1 13 4  32 o 22.190  0.1443 -0.9901000E-02 0.2886000 
1 1 1 13 4  33 o 19.220  0.1366 0.3798000      0.2733000 
1 1 1 13 4  34 o 14.540  0.1505 0.2740000      0.3010000 
1 1 1 13 4  35 o 14.140  0.1691 -0.1364000     0.3382000 
1 1 1 13 4  36 o 18.160  0.1339 0.2348000      0.2679000 
1 1 1 13 4  37 o 10.520  0.1733 0.2780000      0.3467000 
1 1 1 13 4  38 o 6.5590  0.2483 0.2963000      0.4965000 
1 1 1 13 4  39 o 7.6630  0.2208 0.3226000      0.4416000 
1 1 1 13 4  40 f 7.2530  0.2448 -0.5510000E-01 0.4897000 
1 1 1 13 4  41 o 5.6290  0.3408 0.7222000      0.6816000 
1 1 1 13 4  42 o 5.2050  0.4029 -0.2198000     0.8057000 
1 1 1 13 4  43 o 17.770  0.1558 0.7512000E-01  0.3115000 
1 1 1 13 4  44 o 2.6390  0.5902 0.7180000      1.180000  
1 1 1 13 4  45 o 6.6030  0.3867 0.1003000E-01  0.7735000 
1 1 1 13 4  46 o 9.3960  0.2894 0.6545000      0.5789000 
1 1 1 13 4  47 o 12.190  0.3304 1.747000       0.6607000 
1 1 1 13 4  48 o 12.030  0.1896 0.3396000      0.3791000 
1 1 1 13 4  49 o 7.0640  0.2932 -0.1154000     0.5863000 
1 1 1 13 4  50 o 11.650  0.2022 0.4106000      0.4044000 
1 1 1 13 4  51 o 6.8870  0.2801 -0.6928000     0.5603000 
1 1 1 13 4  52 o 6.9110  0.2927 -0.2033000     0.5854000 
1 1 1 13 4  53 o 4.7830  0.3687 0.9589000      0.7375000 
1 1 1 13 4  54 o 4.5030  0.4286 0.5838000      0.8571000 
1 1 1 13 4  55 o 8.5680  0.2196 0.5462000E-01  0.4391000 
1 1 1 13 4  56 o 4.4390  0.4116 -1.083000      0.8232000 
1 1 1 13 4  57 o 15.080  0.1554 0.1670000      0.3107000 
1 1 1 13 4  58 o 9.0550  0.2110 0.3593000      0.4221000 
1 1 1 13 4  59 o 6.3130  0.2552 -0.6823000     0.5105000 
1 1 1 13 4  60 o 3.8540  0.4176 -1.132000      0.8352000 
1 1 1 13 4  61 o 4.9520  0.4201 -0.6859000     0.8401000 
1 1 1 13 4  62 o 9.0680  0.2603 -0.2389000E-01 0.5206000 
1 1 1 13 4  63 o 2.4160  0.5618 1.851000       1.124000  
1 1 1 13 4  64 o 4.1040  0.4056 0.1466000      0.8113000 
1 1 1 13 4  65 o 2.5960  0.5304 1.283000       1.061000  
1 1 1 13 4  66 o 2.1430  0.5588 -0.9756000     1.118000  
1 1 1 13 4  67 o 3.4420  0.5496 0.1485000      1.099000  
1 1 1 13 4  68 o 4.5590  0.4224 -1.309000      0.8448000 
1 1 1 13 4  69 o 3.9730  0.5676 0.6035000E-01  1.135000  
1 1 1 13 5  0  o 10.420  0.1889 0.000000       0.000000  
1 1 1 13 5  1  o 10.610  0.1318 -0.3221000     0.2637000 
1 1 1 13 5  2  o 16.230  0.1324 -0.1358000     0.2649000 
1 1 1 13 5  3  o 13.150  0.1492 0.2240000      0.2985000 
1 1 1 13 5  4  o 7.1040  0.2351 0.2441000      0.4701000 
1 1 1 13 5  5  o 8.3110  0.1504 -0.3892000     0.3009000 
1 1 1 13 5  6  o 9.4860  0.1609 0.3473000E-01  0.3218000 
1 1 1 13 5  7  o 15.600  0.1392 -0.2734000     0.2784000 
1 1 1 13 5  8  o 9.3230  0.1655 -0.6130000     0.3311000 
1 1 1 13 5  9  o 10.100  0.1598 -0.1967000     0.3196000 
1 1 1 13 5  10 o 18.790  0.1247 0.3022000      0.2494000 
1 1 1 13 5  11 o 14.890  0.1456 -0.3315000E-01 0.2913000 
1 1 1 13 5  12 o 14.340  0.1473 0.2941000      0.2947000 
1 1 1 13 5  13 o 11.940  0.1557 -0.3760000E-01 0.3114000 
1 1 1 13 5  14 o 11.870  0.1574 0.1493000      0.3148000 
1 1 1 13 5  15 o 6.9840  0.2229 -0.5131000     0.4458000 
1 1 1 13 5  16 o 14.440  0.2062 0.3295000      0.4124000 
1 1 1 13 5  17 o 6.3390  0.3616 0.8686000      0.7231000 
1 1 1 13 5  18 o 17.300  0.2020 0.5393000E-01  0.4041000 
1 1 1 13 5  19 o 12.070  0.2261 0.4043000      0.4521000 
1 1 1 13 5  20 o 24.440  0.1631 -0.2791000     0.3263000 
1 1 1 13 5  21 o 7.7280  0.2396 -0.1643000E-01 0.4792000 
1 1 1 13 5  22 o 10.100  0.1842 -0.7010000E-01 0.3684000 
1 1 1 13 5  23 o 9.0690  0.2646 -0.1589000E-02 0.5292000 
1 1 1 13 5  24 o 13.030  0.1614 -0.7751000     0.3227000 
1 1 1 13 5  25 o 23.350  0.1455 -0.4109000E-01 0.2911000 
1 1 1 13 5  26 o 22.880  0.1362 0.7911000E-01  0.2725000 
1 1 1 13 5  27 o 7.5080  0.2082 -0.2604000     0.4164000 
1 1 1 13 5  28 o 10.440  0.1597 -0.8903000E-01 0.3195000 
1 1 1 13 5  29 o 18.060  0.1310 -0.3547000     0.2620000 
1 1 1 13 5  30 o 8.5030  0.1897 -0.9249000     0.3794000 
1 1 1 13 5  31 o 14.330  0.1418 -0.6885000     0.2836000 
1 1 1 13 5  32 o 13.080  0.1520 0.5691000      0.3040000 
1 1 1 13 5  33 o 14.360  0.1492 0.4449000      0.2984000 
1 1 1 13 5  34 o 20.530  0.1522 0.5878000E-01  0.3045000 
1 1 1 13 5  35 o 9.0510  0.2063 -0.9583000E-01 0.4126000 
1 1 1 13 5  36 o 10.480  0.2041 0.5247000      0.4082000 
1 1 1 13 5  37 o 17.290  0.1304 0.1205000      0.2608000 
1 1 1 13 5  38 o 5.5770  0.2885 -0.4885000     0.5770000 
1 1 1 13 5  39 o 16.570  0.1406 0.2734000      0.2812000 
1 1 1 13 5  40 o 8.0220  0.2355 -0.4265000     0.4710000 
1 1 1 13 5  41 o 17.020  0.1469 -0.1236000     0.2938000 
1 1 1 13 5  42 o 13.060  0.1674 0.1680000      0.3348000 
1 1 1 13 5  43 o 8.4950  0.2366 -0.6359000     0.4732000 
1 1 1 13 5  44 o 9.8130  0.2135 0.3351000      0.4269000 
1 1 1 13 5  45 o 7.9940  0.2651 -0.5966000E-02 0.5303000 
1 1 1 13 5  46 o 15.980  0.2178 -0.1484000     0.4356000 
1 1 1 13 5  47 o 4.8250  0.4230 -1.151000      0.8459000 
1 1 1 13 5  48 o 1.9080  0.5896 0.2723000      1.179000  
1 1 1 13 5  49 o 5.3510  0.4645 0.1188000      0.9289000 
1 1 1 13 5  50 o 2.9600  0.5654 -1.234000      1.131000  
1 1 1 13 5  51 o 8.5910  0.2850 1.549000       0.5700000 
1 1 1 13 5  52 o 4.9140  0.3674 -0.4327000     0.7349000 
1 1 1 13 5  53 o 3.6190  0.5443 0.1850000      1.089000  
1 1 1 13 5  54 o 3.5990  0.4990 -1.484000      0.9980000 
1 1 1 13 5  55 o 11.950  0.1726 0.1991000E-01  0.3453000 
1 1 1 13 5  56 o 9.7330  0.1785 0.4401000      0.3570000 
1 1 1 13 5  57 o 4.6740  0.3373 0.6398000      0.6747000 
1 1 1 13 5  58 o 4.8340  0.3241 -0.8983000E-01 0.6482000 
1 1 1 13 5  59 o 2.3490  0.5363 0.5471000      1.073000  
1 1 1 13 5  60 o 5.7720  0.2924 0.3024000      0.5849000 
1 1 1 13 5  61 o 3.1070  0.5315 1.044000       1.063000  
1 1 1 13 5  62 o 1.9490  0.5423 -0.7134000     1.085000  
1 1 1 13 5  63 o 4.8810  0.3784 0.6126000      0.7569000 
1 1 1 13 5  64 o 2.1120  0.5533 -1.245000      1.107000  
1 1 1 13 5  65 o 4.3090  0.5668 -0.9631000     1.134000  
1 1 1 13 5  66 o 5.9580  0.3582 -0.6745000E-02 0.7164000 
1 1 1 13 5  67 o 5.3670  0.3463 -0.5468000     0.6926000 
1 1 1 13 5  68 o 3.5200  0.5432 -0.7993000     1.086000  
1 1 1 13 5  69 o 5.1850  0.4259 -0.4070000     0.8518000 
1 1 1 13 6  0  o 3.6590  0.4883 0.000000       0.000000  
1 1 1 13 6  1  o 11.040  0.1583 -0.1637000     0.3167000 
1 1 1 13 6  2  o 3.2610  0.3779 0.3564000      0.7559000 
1 1 1 13 6  3  o 7.0780  0.2315 -0.9280000     0.4629000 
1 1 1 13 6  4  o 11.650  0.1390 -0.1353000     0.2780000 
1 1 1 13 6  5  o 7.6770  0.1749 0.3775000      0.3498000 
1 1 1 13 6  6  o 5.2690  0.2643 0.9748000      0.5285000 
1 1 1 13 6  7  o 10.480  0.1583 0.7910000E-01  0.3165000 
1 1 1 13 6  8  o 12.780  0.1477 -0.2205000     0.2955000 
1 1 1 13 6  9  o 6.7400  0.1813 0.4687000E-01  0.3626000 
1 1 1 13 6  10 o 14.220  0.1479 -0.3510000     0.2957000 
1 1 1 13 6  11 o 9.5010  0.1754 0.1878000      0.3509000 
1 1 1 13 6  12 o 12.480  0.1554 -0.7267000E-01 0.3108000 
1 1 1 13 6  13 o 9.9100  0.1734 -0.4588000     0.3468000 
1 1 1 13 6  14 o 10.140  0.1455 0.9148000E-01  0.2909000 
1 1 1 13 6  15 o 9.5040  0.1680 0.2076000      0.3360000 
1 1 1 13 6  16 o 8.3740  0.2763 0.2641000      0.5526000 
1 1 1 13 6  17 o 5.1190  0.4596 1.263000       0.9192000 
1 1 1 13 6  18 o 14.230  0.1457 0.7055000E-01  0.2914000 
1 1 1 13 6  19 o 16.910  0.1395 -0.2583000     0.2790000 
1 1 1 13 6  20 o 13.060  0.1573 -0.4221000     0.3146000 
1 1 1 13 6  21 f 13.600  0.1472 -0.3886000     0.2945000 
1 1 1 13 6  22 o 5.6740  0.2685 -0.3818000     0.5371000 
1 1 1 13 6  23 o 12.780  0.1563 -0.2625000     0.3127000 
1 1 1 13 6  24 o 19.530  0.1363 0.3354000E-01  0.2725000 
1 1 1 13 6  25 o 5.6090  0.2448 -0.1844000     0.4897000 
1 1 1 13 6  26 o 11.310  0.1527 0.1519000E-01  0.3053000 
1 1 1 13 6  27 o 11.440  0.1528 -0.6456000     0.3056000 
1 1 1 13 6  28 o 13.090  0.1418 -0.3402000     0.2835000 
1 1 1 13 6  29 o 36.210  0.1584 0.6238000E-01  0.3168000 
1 1 1 13 6  30 o 16.100  0.1367 0.2374000      0.2733000 
1 1 1 13 6  31 o 5.6410  0.2917 1.058000       0.5834000 
1 1 1 13 6  32 o 6.3130  0.3021 0.7325000      0.6041000 
1 1 1 13 6  33 o 12.420  0.1777 -0.1548000E-01 0.3555000 
1 1 1 13 6  34 o 14.010  0.1762 0.4311000      0.3524000 
1 1 1 13 6  35 o 15.110  0.1517 0.2142000      0.3035000 
1 1 1 13 6  36 o 5.4980  0.3317 0.1021000      0.6633000 
1 1 1 13 6  37 o 17.670  0.1475 0.9405000E-01  0.2949000 
1 1 1 13 6  38 o 5.3940  0.3249 -1.076000      0.6497000 
1 1 1 13 6  39 o 18.290  0.1574 0.3590000      0.3147000 
1 1 1 13 6  40 o 18.230  0.1569 -0.8770000E-01 0.3138000 
1 1 1 13 6  41 o 19.030  0.1356 -0.2451000     0.2712000 
1 1 1 13 6  42 o 7.1480  0.2594 -0.4121000     0.5187000 
1 1 1 13 6  43 o 9.2970  0.2129 0.4493000      0.4259000 
1 1 1 13 6  44 o 10.830  0.1846 -0.1010000     0.3691000 
1 1 1 13 6  45 o 17.390  0.1483 0.3056000      0.2967000 
1 1 1 13 6  46 o 12.050  0.1692 -0.1444000     0.3385000 
1 1 1 13 6  47 o 10.780  0.1910 0.4404000      0.3820000 
1 1 1 13 6  48 o 7.4000  0.3077 -1.075000      0.6154000 
1 1 1 13 6  49 o 5.3710  0.3734 -0.3103000     0.7467000 
1 1 1 13 6  50 o 8.0090  0.3972 0.8560000      0.7943000 
1 1 1 13 6  51 o 2.6090  0.6289 -0.2553000     1.258000  
1 1 1 13 6  52 o 10.570  0.2279 -0.4495000     0.4559000 
1 1 1 13 6  53 o 1.9920  0.5342 -0.3616000     1.068000  
1 1 1 13 6  54 o 1.9110  0.5407 -0.1062000     1.081000  
1 1 1 13 6  55 o 6.3570  0.2637 -0.1574000     0.5275000 
1 1 1 13 6  56 o 4.7270  0.3723 -1.596000      0.7445000 
1 1 1 13 6  57 o 1.7210  0.5081 -0.6077000     1.016000  
1 1 1 13 6  58 o 9.6080  0.1917 0.4997000      0.3834000 
1 1 1 13 6  59 o 5.4710  0.3167 0.1197000      0.6333000 
1 1 1 13 6  60 o 7.3590  0.2635 0.2424000      0.5270000 
1 1 1 13 6  61 o 7.9870  0.2404 -0.6058000E-01 0.4809000 
1 1 1 13 6  62 o 4.9420  0.3482 -0.5537000     0.6964000 
1 1 1 13 6  63 o 2.9260  0.5263 -1.932000      1.053000  
1 1 1 13 6  64 o 5.0050  0.3684 -0.2482000     0.7369000 
1 1 1 13 6  65 o 6.4290  0.2856 0.8165000      0.5712000 
1 1 1 13 6  66 o 3.3030  0.5364 -0.4869000     1.073000  
1 1 1 13 6  67 o 2.1210  0.5725 -1.041000      1.145000  
1 1 1 13 6  68 o 2.6730  0.7018 1.256000       1.404000  
1 1 1 13 7  0  o 2.1000  0.8726 0.000000       0.000000  
1 1 1 13 7  1  o 13.930  0.2005 ?              ?         
1 1 1 13 7  2  o 7.0220  0.1983 -0.1869000     0.3967000 
1 1 1 13 7  3  o 6.8610  0.1890 -0.4100000     0.3781000 
1 1 1 13 7  4  o 9.1650  0.1596 0.7741000      0.3193000 
1 1 1 13 7  5  o 11.940  0.1404 -0.5360000     0.2807000 
1 1 1 13 7  6  o 11.150  0.1659 -0.3330000     0.3317000 
1 1 1 13 7  7  o 17.800  0.1458 0.1265000      0.2915000 
1 1 1 13 7  8  o 8.1320  0.2175 0.4570000      0.4349000 
1 1 1 13 7  9  o 12.410  0.1233 -0.2420000     0.2465000 
1 1 1 13 7  10 o 14.300  0.1346 0.2243000      0.2692000 
1 1 1 13 7  11 o 4.8570  0.2686 -0.1778000     0.5373000 
1 1 1 13 7  12 o 6.0860  0.2235 -0.3461000     0.4470000 
1 1 1 13 7  13 o 13.470  0.1304 -0.1095000     0.2609000 
1 1 1 13 7  14 o 11.170  0.1388 0.2582000      0.2776000 
1 1 1 13 7  15 o 2.9020  0.4806 -0.1467000     0.9611000 
1 1 1 13 7  16 o 7.5830  0.2096 1.227000       0.4191000 
1 1 1 13 7  17 o 9.8300  0.1412 -0.2039000     0.2823000 
1 1 1 13 7  18 o 1.5610  0.4759 -0.7702000E-02 0.9519000 
1 1 1 13 7  19 o 13.720  0.1541 -0.6021000     0.3082000 
1 1 1 13 7  20 o 12.670  0.1496 0.7689000E-01  0.2992000 
1 1 1 13 7  21 o 2.4170  0.4627 1.629000       0.9254000 
1 1 1 13 7  22 o 4.0420  0.5402 ?              ?         
1 1 1 13 7  23 f 8.1530  0.1927 0.1628000      0.3855000 
1 1 1 13 7  24 o 12.950  0.1485 -0.2286000     0.2970000 
1 1 1 13 7  25 o 22.930  0.1267 0.2007000      0.2533000 
1 1 1 13 7  26 o 6.1590  0.2221 -0.4799000     0.4442000 
1 1 1 13 7  27 o 10.030  0.1552 -0.1710000     0.3104000 
1 1 1 13 7  28 o 4.6430  0.3106 0.1878000      0.6212000 
1 1 1 13 7  29 f 7.5290  0.2026 -0.1720000     0.4051000 
1 1 1 13 7  30 o 12.650  0.1498 0.3532000      0.2996000 
1 1 1 13 7  31 o 5.5860  0.3418 0.7350000      0.6836000 
1 1 1 13 7  32 o 12.280  0.1607 0.3641000      0.3215000 
1 1 1 13 7  33 o 9.3020  0.1960 -0.1917000     0.3921000 
1 1 1 13 7  34 o 19.860  0.1479 0.4722000      0.2958000 
1 1 1 13 7  35 o 13.780  0.1649 0.5185000      0.3297000 
1 1 1 13 7  36 o 11.370  0.1853 0.1469000      0.3706000 
1 1 1 13 7  37 f 11.670  0.1859 0.4702000      0.3718000 
1 1 1 13 7  38 o 9.7230  0.2401 -0.3615000     0.4802000 
1 1 1 13 7  39 o 11.060  0.1874 0.1925000E-01  0.3749000 
1 1 1 13 7  40 o 17.330  0.1395 0.5426000      0.2791000 
1 1 1 13 7  41 o 15.150  0.1497 0.1392000E-01  0.2995000 
1 1 1 13 7  42 o 6.7270  0.2540 -0.3762000     0.5081000 
1 1 1 13 7  43 o 2.9480  0.6157 0.1267000      1.231000  
1 1 1 13 7  44 o 23.870  0.1580 0.3046000      0.3161000 
1 1 1 13 7  45 o 2.6600  0.6253 0.6701000E-01  1.251000  
1 1 1 13 7  46 o 7.0580  0.2987 0.9346000E-01  0.5974000 
1 1 1 13 7  47 o 10.570  0.2209 0.1295000      0.4417000 
1 1 1 13 7  48 o 5.5620  0.3802 0.3612000      0.7604000 
1 1 1 13 7  49 f 5.6320  0.4136 1.165000       0.8272000 
1 1 1 13 7  50 o 3.7790  0.6242 1.717000       1.248000  
1 1 1 13 7  51 o 3.3590  0.5664 0.9317000      1.133000  
1 1 1 13 7  52 o 2.0090  0.5872 0.3724000      1.174000  
1 1 1 13 7  53 o 4.3150  0.4012 -0.2333000     0.8024000 
1 1 1 13 7  54 o 4.7940  0.3375 0.4052000      0.6750000 
1 1 1 13 7  55 o 6.8540  0.2431 0.2332000      0.4862000 
1 1 1 13 7  56 o 3.2590  0.4939 -0.2289000     0.9879000 
1 1 1 13 7  57 o 5.9650  0.2765 -0.3066000     0.5530000 
1 1 1 13 7  58 o 7.3980  0.2430 0.1810000E-01  0.4861000 
1 1 1 13 7  59 o 4.4800  0.4156 -0.3554000     0.8311000 
1 1 1 13 7  60 o 2.1990  0.5811 -0.1968000E-01 1.162000  
1 1 1 13 7  61 o 6.2980  0.2794 0.3275000E-01  0.5588000 
1 1 1 13 7  62 o 9.2740  0.2132 0.5847000      0.4263000 
1 1 1 13 7  63 o 3.3870  0.5290 0.7152000      1.058000  
1 1 1 13 7  64 o 2.8300  0.5868 -0.4747000     1.174000  
1 1 1 13 7  65 f 7.0040  0.2818 0.9529000      0.5635000 
1 1 1 13 7  66 o 3.5500  0.5483 -0.2570000     1.097000  
1 1 1 13 7  67 o 1.4060  0.4724 0.3301000      0.9448000 
1 1 1 13 7  68 o 3.3470  0.5945 0.3373000      1.189000  
1 1 1 13 8  0  o 12.610  0.2298 0.000000       0.000000  
1 1 1 13 8  1  o 10.210  0.1395 0.8997000E-01  0.2789000 
1 1 1 13 8  2  o 2.8240  0.4690 1.353000       0.9380000 
1 1 1 13 8  3  f 3.4920  0.3447 1.280000       0.6894000 
1 1 1 13 8  4  o 8.4600  0.1460 -0.1851000     0.2919000 
1 1 1 13 8  5  o 10.800  0.1332 0.1413000E-01  0.2664000 
1 1 1 13 8  6  o 11.070  0.1394 0.7547000E-01  0.2789000 
1 1 1 13 8  7  o 8.4790  0.1634 0.7425000      0.3268000 
1 1 1 13 8  8  o 15.150  0.1509 0.1460000E-01  0.3017000 
1 1 1 13 8  9  o 8.8090  0.1583 0.4124000      0.3165000 
1 1 1 13 8  10 o 12.990  0.1514 -0.4329000     0.3027000 
1 1 1 13 8  11 o 25.190  0.1540 -0.5063000     0.3081000 
1 1 1 13 8  12 o 7.9890  0.2102 0.9157000      0.4204000 
1 1 1 13 8  13 o 7.7950  0.1601 0.2460000      0.3202000 
1 1 1 13 8  14 o 7.2740  0.1867 -0.3941000     0.3734000 
1 1 1 13 8  15 o 13.990  0.1384 0.3596000E-01  0.2768000 
1 1 1 13 8  16 o 27.560  0.1226 -0.5087000     0.2453000 
1 1 1 13 8  17 o 20.090  0.1239 -0.3019000     0.2478000 
1 1 1 13 8  18 o 32.180  0.1693 0.4423000E-01  0.3386000 
1 1 1 13 8  19 o 6.5390  0.1766 0.4050000E-01  0.3531000 
1 1 1 13 8  20 o 21.230  0.1435 0.6286000E-01  0.2870000 
1 1 1 13 8  21 o 6.8930  0.2225 0.3369000      0.4450000 
1 1 1 13 8  22 o 20.630  0.1354 -0.3119000E-01 0.2708000 
1 1 1 13 8  23 f 13.390  0.1444 -0.1071000     0.2888000 
1 1 1 13 8  24 o 10.940  0.1605 -0.5634000     0.3211000 
1 1 1 13 8  25 o 7.0510  0.2323 0.3961000      0.4645000 
1 1 1 13 8  26 o 10.970  0.1690 0.5250000E-01  0.3379000 
1 1 1 13 8  27 o 19.370  0.1355 -0.1153000E-01 0.2710000 
1 1 1 13 8  28 o 16.100  0.1497 -0.4889000E-01 0.2994000 
1 1 1 13 8  29 o 15.370  0.1707 -0.2652000E-01 0.3415000 
1 1 1 13 8  30 o 9.4320  0.2120 0.1335000      0.4241000 
1 1 1 13 8  31 o 28.080  0.2387 0.1396000      0.4774000 
1 1 1 13 8  32 o 12.650  0.2276 0.2794000      0.4552000 
1 1 1 13 8  33 o 13.430  0.1953 0.5271000      0.3906000 
1 1 1 13 8  34 o 17.400  0.1861 0.1312000      0.3722000 
1 1 1 13 8  35 o 13.670  0.2097 0.4572000      0.4195000 
1 1 1 13 8  36 o 12.490  0.2304 -0.6910000E-01 0.4609000 
1 1 1 13 8  37 o 22.960  0.2210 -0.3204000     0.4420000 
1 1 1 13 8  38 f 12.210  0.2627 -0.3768000     0.5254000 
1 1 1 13 8  39 o 8.1140  0.3187 1.184000       0.6375000 
1 1 1 13 8  40 o 11.120  0.2052 0.2364000      0.4104000 
1 1 1 13 8  41 o 2.9160  0.5968 1.717000       1.194000  
1 1 1 13 8  42 o 8.6700  0.2500 0.1009000      0.5000000 
1 1 1 13 8  43 o 19.560  0.1609 -0.5975000E-01 0.3218000 
1 1 1 13 8  44 f 7.3320  0.2886 0.1924000      0.5772000 
1 1 1 13 8  45 o 8.3090  0.2556 0.3013000      0.5113000 
1 1 1 13 8  46 o 1.7280  0.5392 0.2580000E-01  1.078000  
1 1 1 13 8  47 o 6.1050  0.3398 0.4949000      0.6796000 
1 1 1 13 8  48 o 9.6550  0.2806 -0.4100000     0.5613000 
1 1 1 13 8  49 o 11.250  0.2108 -0.1870000     0.4217000 
1 1 1 13 8  50 o 14.490  0.1519 -0.1390000     0.3037000 
1 1 1 13 8  51 o 9.0570  0.1956 0.4591000E-01  0.3911000 
1 1 1 13 8  52 o 6.6040  0.3007 -1.885000      0.6014000 
1 1 1 13 8  53 o 3.9310  0.5220 0.9270000      1.044000  
1 1 1 13 8  54 o 10.350  0.2568 0.2733000      0.5136000 
1 1 1 13 8  55 o 7.4470  0.2263 0.9088000      0.4527000 
1 1 1 13 8  56 o 6.0260  0.2694 -0.1641000     0.5388000 
1 1 1 13 8  57 o 6.5060  0.2802 0.8412000      0.5604000 
1 1 1 13 8  58 o 4.5120  0.4006 0.5762000      0.8012000 
1 1 1 13 8  59 o 7.2930  0.2540 -0.3043000E-01 0.5080000 
1 1 1 13 8  60 o 5.3940  0.3203 -0.6665000E-01 0.6406000 
1 1 1 13 8  61 o 3.8610  0.4607 -0.8253000     0.9215000 
1 1 1 13 8  62 o 2.5020  0.5639 -1.021000      1.128000  
1 1 1 13 8  63 o 6.5710  0.2870 0.5658000      0.5740000 
1 1 1 13 8  64 o 2.0770  0.5542 -0.7948000     1.108000  
1 1 1 13 8  65 o 3.6420  0.5406 -1.636000      1.081000  
1 1 1 13 8  66 o 2.1850  0.5954 -0.1054000     1.191000  
1 1 1 13 8  67 f 2.7910  0.6023 -0.9718000     1.205000  
1 1 1 13 8  68 o 7.8170  0.2676 0.1148000      0.5351000 
1 1 1 13 9  0  o 18.130  0.1760 0.000000       0.000000  
1 1 1 13 9  1  o 9.5870  0.1455 -0.8977000E-01 0.2909000 
1 1 1 13 9  2  o 2.4840  0.4812 0.9178000      0.9623000 
1 1 1 13 9  3  o 5.2970  0.2470 -0.8178000     0.4940000 
1 1 1 13 9  4  o 6.7020  0.2007 0.1680000      0.4014000 
1 1 1 13 9  5  o 14.830  0.1247 0.5254000E-01  0.2494000 
1 1 1 13 9  6  o 14.230  0.1212 -0.2873000     0.2423000 
1 1 1 13 9  7  o 16.310  0.1297 -0.3581000     0.2594000 
1 1 1 13 9  8  o 4.0360  0.3691 0.5834000      0.7382000 
1 1 1 13 9  9  f 11.270  0.1425 0.2965000      0.2850000 
1 1 1 13 9  10 o 6.0970  0.2556 0.2454000      0.5112000 
1 1 1 13 9  11 o 17.950  0.1468 -0.2092000     0.2936000 
1 1 1 13 9  12 o 4.5530  0.3390 -0.2392000     0.6781000 
1 1 1 13 9  13 o 26.050  0.1556 -0.9992000E-01 0.3111000 
1 1 1 13 9  14 o 26.310  0.1652 -0.8500000E-01 0.3304000 
1 1 1 13 9  15 o 18.320  0.1251 0.6928000E-01  0.2502000 
1 1 1 13 9  16 o 12.600  0.1232 0.1161000      0.2465000 
1 1 1 13 9  17 o 24.250  0.1281 -0.1644000     0.2562000 
1 1 1 13 9  18 o 19.760  0.1155 0.9936000E-01  0.2309000 
1 1 1 13 9  19 o 12.760  0.1222 0.2261000E-01  0.2445000 
1 1 1 13 9  20 o 12.190  0.1321 0.9488000E-01  0.2643000 
1 1 1 13 9  21 o 1.8690  0.5087 0.1858000      1.017000  
1 1 1 13 9  22 o 21.570  0.1376 -0.5484000     0.2751000 
1 1 1 13 9  23 o 19.260  0.1372 -0.2566000     0.2743000 
1 1 1 13 9  24 o 3.8530  0.4812 0.8728000      0.9623000 
1 1 1 13 9  25 f 24.570  0.1442 -0.1414000     0.2885000 
1 1 1 13 9  26 o 9.7400  0.1847 0.1421000      0.3693000 
1 1 1 13 9  27 o 13.210  0.1559 -0.2263000     0.3119000 
1 1 1 13 9  28 o 12.130  0.1816 -0.1401000     0.3632000 
1 1 1 13 9  29 o 2.1950  0.5904 -0.6548000     1.181000  
1 1 1 13 9  30 o 9.0560  0.2351 0.1859000      0.4702000 
1 1 1 13 9  31 o 25.370  0.1580 0.1765000      0.3160000 
1 1 1 13 9  32 o 16.740  0.1632 -0.3291000     0.3264000 
1 1 1 13 9  33 o 2.4530  0.6145 -0.6674000     1.229000  
1 1 1 13 9  34 o 7.5540  0.3072 -0.3987000     0.6144000 
1 1 1 13 9  35 o 2.1180  0.6396 -0.3171000     1.279000  
1 1 1 13 9  36 o 3.2940  0.6492 -2.102000      1.298000  
1 1 1 13 9  37 o 16.410  0.2138 -0.8084000     0.4276000 
1 1 1 13 9  38 o 10.570  0.2587 0.3278000      0.5174000 
1 1 1 13 9  39 o 5.8320  0.4371 -0.2007000     0.8743000 
1 1 1 13 9  40 o 12.730  0.2305 -1.060000      0.4610000 
1 1 1 13 9  41 o 4.6430  0.5540 -1.762000      1.108000  
1 1 1 13 9  42 o 7.0150  0.2960 -0.1600000     0.5921000 
1 1 1 13 9  43 o 10.980  0.1562 0.7176000      0.3123000 
1 1 1 13 9  44 o 18.020  0.1326 0.2890000      0.2652000 
1 1 1 13 9  45 o 3.5210  0.4280 0.4089000E-01  0.8560000 
1 1 1 13 9  46 o 5.8090  0.2724 1.007000       0.5447000 
1 1 1 13 9  47 o 9.0760  0.2457 -0.1044000     0.4913000 
1 1 1 13 9  48 o 12.290  0.1585 0.6317000      0.3169000 
1 1 1 13 9  49 o 5.3660  0.2929 0.2052000E-01  0.5857000 
1 1 1 13 9  50 o 5.4780  0.3934 0.6408000      0.7867000 
1 1 1 13 9  51 o 5.7480  0.3774 0.7833000      0.7549000 
1 1 1 13 9  52 o 9.0760  0.1905 0.3945000      0.3810000 
1 1 1 13 9  53 o 2.9600  0.4941 0.9346000      0.9881000 
1 1 1 13 9  54 o 3.7690  0.4441 1.308000       0.8881000 
1 1 1 13 9  55 f 5.9290  0.3524 -1.260000      0.7049000 
1 1 1 13 9  56 o 8.8130  0.3018 0.8124000      0.6036000 
1 1 1 13 9  57 o 6.5370  0.2735 0.4972000E-02  0.5471000 
1 1 1 13 9  58 f 5.1160  0.3362 -0.2624000     0.6724000 
1 1 1 13 9  59 o 5.9940  0.3006 -0.3828000     0.6012000 
1 1 1 13 9  60 o 4.1410  0.4332 -0.3800000     0.8663000 
1 1 1 13 9  61 o 3.5910  0.4892 1.479000       0.9785000 
1 1 1 13 9  62 o 2.1570  0.5713 -0.3049000     1.143000  
1 1 1 13 9  63 o 2.5450  0.5382 -1.568000      1.076000  
1 1 1 13 9  64 o 4.1330  0.4530 -0.9154000E-01 0.9061000 
1 1 1 13 9  65 o 8.1380  0.2390 -0.1642000     0.4780000 
1 1 1 13 9  66 o 1.9760  0.5789 -0.6480000E-01 1.158000  
1 1 1 13 9  67 o 4.4040  0.4519 -0.5834000E-01 0.9038000 
1 1 1 13 10 0  o 9.2390  0.2176 0.000000       0.000000  
1 1 1 13 10 1  o 20.090  0.1285 0.1212000      0.2570000 
1 1 1 13 10 2  o 4.0030  0.3074 -0.9619000E-01 0.6148000 
1 1 1 13 10 3  o 9.0930  0.1727 0.2444000      0.3453000 
1 1 1 13 10 4  o 4.7620  0.3110 0.7838000E-01  0.6221000 
1 1 1 13 10 5  o 11.360  0.1528 -0.1328000     0.3055000 
1 1 1 13 10 6  o 18.430  0.1282 0.4082000      0.2564000 
1 1 1 13 10 7  o 21.030  0.1315 0.6142000E-03  0.2631000 
1 1 1 13 10 8  o 11.500  0.1483 -0.5498000E-01 0.2965000 
1 1 1 13 10 9  o 13.510  0.1675 -0.3232000     0.3350000 
1 1 1 13 10 10 o 9.3380  0.1561 0.3191000E-01  0.3122000 
1 1 1 13 10 11 o 2.0100  0.5328 -0.4483000     1.066000  
1 1 1 13 10 12 o 13.940  0.2159 0.2269000      0.4318000 
1 1 1 13 10 13 o 23.400  0.1498 0.3774000E-01  0.2996000 
1 1 1 13 10 14 o 13.950  0.1260 0.2954000E-01  0.2520000 
1 1 1 13 10 15 o 19.400  0.1285 0.2143000      0.2570000 
1 1 1 13 10 16 o 18.610  0.1214 -0.2267000     0.2429000 
1 1 1 13 10 17 o 10.010  0.1332 0.2409000      0.2663000 
1 1 1 13 10 18 o 10.650  0.1244 0.3651000      0.2488000 
1 1 1 13 10 19 o 17.090  0.1089 0.3415000      0.2178000 
1 1 1 13 10 20 o 11.250  0.1409 0.9516000E-01  0.2818000 
1 1 1 13 10 21 o 27.810  0.1309 -0.3759000     0.2618000 
1 1 1 13 10 22 o 6.0130  0.2549 -0.7086000     0.5099000 
1 1 1 13 10 23 o 12.830  0.1905 -1.055000      0.3811000 
1 1 1 13 10 24 o 10.540  0.1873 0.6230000E-01  0.3745000 
1 1 1 13 10 25 o 7.7280  0.2350 -0.3063000     0.4700000 
1 1 1 13 10 26 o 4.1390  0.5206 0.1223000E-01  1.041000  
1 1 1 13 10 27 o 25.230  0.1538 -0.3425000     0.3077000 
1 1 1 13 10 28 o 9.1490  0.2199 0.4891000      0.4398000 
1 1 1 13 10 29 o 10.540  0.1768 0.5810000E-01  0.3535000 
1 1 1 13 10 30 o 10.100  0.1823 -0.5146000     0.3646000 
1 1 1 13 10 31 o 8.4640  0.2172 0.5137000      0.4345000 
1 1 1 13 10 32 o 10.510  0.1849 -0.1649000     0.3699000 
1 1 1 13 10 33 o 15.060  0.1533 -0.9056000E-01 0.3066000 
1 1 1 13 10 34 o 3.6370  0.5359 -1.445000      1.072000  
1 1 1 13 10 35 o 14.100  0.1867 0.1055000      0.3735000 
1 1 1 13 10 36 o 8.0180  0.2523 0.3602000      0.5046000 
1 1 1 13 10 37 o 4.2200  0.6209 0.7054000      1.242000  
1 1 1 13 10 38 o 22.250  0.1620 -0.1301000     0.3241000 
1 1 1 13 10 39 o 12.040  0.1862 0.4991000      0.3725000 
1 1 1 13 10 40 o 12.180  0.1840 0.7447000E-01  0.3680000 
1 1 1 13 10 41 o 14.890  0.1670 0.5945000      0.3340000 
1 1 1 13 10 42 o 4.1860  0.4706 0.3139000      0.9413000 
1 1 1 13 10 43 o 2.0930  0.5052 0.2714000      1.010000  
1 1 1 13 10 44 o 7.3260  0.1969 -0.3496000     0.3939000 
1 1 1 13 10 45 o 2.5350  0.5931 -1.092000      1.186000  
1 1 1 13 10 46 o 10.010  0.2183 0.6254000      0.4366000 
1 1 1 13 10 47 o 6.0650  0.2441 -0.3177000     0.4883000 
1 1 1 13 10 48 o 4.2770  0.3468 0.7347000      0.6935000 
1 1 1 13 10 49 o 8.5950  0.1856 0.1440000      0.3713000 
1 1 1 13 10 50 o 7.7110  0.2000 -0.2428000     0.3999000 
1 1 1 13 10 51 o 1.3840  0.4425 0.6255000      0.8851000 
1 1 1 13 10 52 o 15.470  0.1430 0.5718000      0.2860000 
1 1 1 13 10 53 o 2.0690  0.5684 -0.2316000     1.137000  
1 1 1 13 10 54 o 4.4820  0.4583 -0.3235000     0.9166000 
1 1 1 13 10 55 o 2.6390  0.5014 -1.550000      1.003000  
1 1 1 13 10 56 o 7.5210  0.2454 0.4533000E-01  0.4908000 
1 1 1 13 10 57 o 2.9030  0.6604 -0.3770000E-01 1.321000  
1 1 1 13 10 58 o 10.950  0.2215 -0.6994000E-01 0.4431000 
1 1 1 13 10 59 o 1.4080  0.4602 0.3249000      0.9204000 
1 1 1 13 10 60 o 1.7090  0.5182 0.1682000      1.036000  
1 1 1 13 10 61 o 3.2730  0.5100 -1.382000      1.020000  
1 1 1 13 10 62 o 7.4060  0.2420 0.8311000      0.4840000 
1 1 1 13 10 63 o 3.6060  0.4897 -0.7431000     0.9795000 
1 1 1 13 10 64 o 2.4080  0.5484 -1.200000      1.097000  
1 1 1 13 10 65 o 2.0650  0.5757 0.2335000      1.151000  
1 1 1 13 10 66 o 4.6010  0.4141 0.4739000      0.8282000 
1 1 1 13 10 67 o 6.7240  0.3144 0.5490000      0.6289000 
1 1 1 13 11 0  o 21.220  0.1925 0.000000       0.000000  
1 1 1 13 11 1  o 6.9470  0.1751 -0.5758000     0.3501000 
1 1 1 13 11 2  o 1.3450  0.4110 -0.5568000     0.8221000 
1 1 1 13 11 3  o 14.880  0.1156 0.1882000      0.2311000 
1 1 1 13 11 4  o 23.600  0.1198 0.5775000E-01  0.2397000 
1 1 1 13 11 5  o 3.9620  0.3197 0.5700000      0.6394000 
1 1 1 13 11 6  o 10.780  0.1613 -0.1281000     0.3226000 
1 1 1 13 11 7  o 13.620  0.1463 0.4742000E-01  0.2926000 
1 1 1 13 11 8  o 23.540  0.1416 -0.2650000     0.2833000 
1 1 1 13 11 9  o 13.760  0.1398 -0.2690000     0.2795000 
1 1 1 13 11 10 o 18.950  0.1714 0.5259000      0.3428000 
1 1 1 13 11 11 o 8.9340  0.2101 0.3284000E-01  0.4202000 
1 1 1 13 11 12 o 10.900  0.2633 -0.7842000     0.5266000 
1 1 1 13 11 13 o 8.6210  0.2256 -0.2083000     0.4512000 
1 1 1 13 11 14 o 28.930  0.1609 -0.3518000     0.3217000 
1 1 1 13 11 15 o 9.4840  0.1701 0.7537000      0.3403000 
1 1 1 13 11 16 o 11.820  0.1367 0.4290000      0.2734000 
1 1 1 13 11 17 o 21.570  0.1264 -0.2292000     0.2528000 
1 1 1 13 11 18 o 31.730  0.1479 -0.2870000     0.2958000 
1 1 1 13 11 19 o 7.4120  0.1725 0.2239000E-01  0.3451000 
1 1 1 13 11 20 o 11.320  0.1288 -0.4433000     0.2575000 
1 1 1 13 11 21 o 7.9020  0.1649 1.225000       0.3298000 
1 1 1 13 11 22 o 13.940  0.1291 -0.3779000     0.2582000 
1 1 1 13 11 23 o 6.1740  0.2175 -0.6662000E-01 0.4350000 
1 1 1 13 11 24 o 25.670  0.1436 0.7232000E-01  0.2873000 
1 1 1 13 11 25 o 2.7400  0.5756 -1.040000      1.151000  
1 1 1 13 11 26 o 12.790  0.1568 -0.3044000     0.3136000 
1 1 1 13 11 27 o 7.3520  0.2281 -0.1881000     0.4561000 
1 1 1 13 11 28 o 8.6980  0.2040 0.3759000      0.4081000 
1 1 1 13 11 29 o 19.290  0.1400 -0.5641000E-01 0.2801000 
1 1 1 13 11 30 o 14.700  0.1662 -0.2033000     0.3323000 
1 1 1 13 11 31 o 6.1600  0.2729 0.9387000E-01  0.5458000 
1 1 1 13 11 32 o 15.180  0.1811 0.2519000      0.3621000 
1 1 1 13 11 33 o 15.720  0.2107 -0.3488000     0.4214000 
1 1 1 13 11 34 o 15.480  0.2132 0.3948000      0.4265000 
1 1 1 13 11 35 o 2.6360  0.6648 0.4026000      1.330000  
1 1 1 13 11 36 f 8.1830  0.3347 -2.098000      0.6694000 
1 1 1 13 11 37 o 8.6270  0.3147 -0.3663000     0.6295000 
1 1 1 13 11 38 o 14.290  0.1551 0.3640000      0.3101000 
1 1 1 13 11 39 o 3.9840  0.4409 -0.1141000     0.8818000 
1 1 1 13 11 40 o 3.4790  0.4963 -0.7261000     0.9926000 
1 1 1 13 11 41 o 12.350  0.1790 0.6330000      0.3581000 
1 1 1 13 11 42 o 8.9710  0.2304 1.468000       0.4609000 
1 1 1 13 11 43 o 11.170  0.1879 -0.3094000     0.3758000 
1 1 1 13 11 44 o 10.260  0.2054 0.8740000      0.4107000 
1 1 1 13 11 45 o 5.3610  0.2411 0.1576000      0.4822000 
1 1 1 13 11 46 o 16.130  0.1275 0.2889000      0.2550000 
1 1 1 13 11 47 o 11.230  0.1466 0.1447000      0.2933000 
1 1 1 13 11 48 o 7.7340  0.1871 0.1284000      0.3742000 
1 1 1 13 11 49 o 9.1470  0.1683 -0.4077000     0.3366000 
1 1 1 13 11 50 o 4.9500  0.2792 0.6918000      0.5584000 
1 1 1 13 11 51 o 4.5940  0.3061 -0.5970000     0.6121000 
1 1 1 13 11 52 o 2.2750  0.4671 -1.447000      0.9342000 
1 1 1 13 11 53 o 16.880  0.1439 0.3680000      0.2877000 
1 1 1 13 11 54 o 3.9200  0.4212 -0.5831000     0.8424000 
1 1 1 13 11 55 o 6.3400  0.2663 -0.2229000     0.5327000 
1 1 1 13 11 56 o 8.5070  0.2559 0.2819000      0.5119000 
1 1 1 13 11 57 o 6.1570  0.4127 0.1212000E-01  0.8254000 
1 1 1 13 11 58 o 7.1190  0.4685 0.4952000      0.9370000 
1 1 1 13 11 59 o 6.3760  0.3368 0.2327000      0.6737000 
1 1 1 13 11 60 o 4.9090  0.4002 -0.1570000E-01 0.8005000 
1 1 1 13 11 61 o 3.5090  0.4795 0.3499000      0.9590000 
1 1 1 13 11 62 o 4.2920  0.4023 0.6236000      0.8047000 
1 1 1 13 11 63 o 2.4480  0.5691 -0.6014000     1.138000  
1 1 1 13 11 64 o 1.6120  0.5076 -0.3390000     1.015000  
1 1 1 13 11 65 o 4.2060  0.4441 0.7336000E-01  0.8882000 
1 1 1 13 11 66 o 6.8600  0.2879 0.8096000      0.5757000 
1 1 1 13 12 0  o 7.9790  0.2320 0.000000       0.000000  
1 1 1 13 12 1  o 14.840  0.1184 -0.2392000     0.2368000 
1 1 1 13 12 2  o 13.600  0.1219 -0.7974000E-01 0.2438000 
1 1 1 13 12 3  o 3.8600  0.3190 -0.8202000     0.6379000 
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1 1 1 14 1  5  f 4.9310  0.2251 0.8619000E-01  0.4503000 
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1 1 1 14 1  11 o 6.3200  0.2300 -0.7294000     0.4599000 
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1 1 1 14 1  19 o 3.0980  0.6844 0.3487000      1.369000  
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1 1 1 14 2  20 o 3.4730  0.6595 0.4112000      1.319000  
1 1 1 14 2  21 o 4.8010  0.4594 1.058000       0.9188000 
1 1 1 14 2  22 o 16.930  0.1623 -0.7188000E-01 0.3245000 
1 1 1 14 2  23 o 7.9360  0.2404 0.3601000      0.4808000 
1 1 1 14 2  24 o 8.0340  0.2100 -0.1590000     0.4199000 
1 1 1 14 2  25 o 8.0420  0.2186 0.1425000      0.4372000 
1 1 1 14 2  26 o 30.240  0.1627 -0.3256000     0.3255000 
1 1 1 14 2  27 o 15.530  0.1550 0.6647000E-01  0.3099000 
1 1 1 14 2  28 o 4.9140  0.3624 0.3797000      0.7248000 
1 1 1 14 2  29 o 16.420  0.1567 0.5213000      0.3134000 
1 1 1 14 2  30 o 22.580  0.1531 -0.3357000     0.3062000 
1 1 1 14 2  31 o 10.100  0.2069 0.1524000      0.4138000 
1 1 1 14 2  32 o 11.220  0.1957 -0.5884000     0.3914000 
1 1 1 14 2  33 o 20.140  0.1474 -0.2068000E-01 0.2948000 
1 1 1 14 2  34 o 4.2490  0.4418 -0.4289000     0.8835000 
1 1 1 14 2  35 o 17.990  0.1534 -0.1157000E-01 0.3068000 
1 1 1 14 2  36 o 4.2360  0.4708 0.2372000      0.9417000 
1 1 1 14 2  37 o 6.1500  0.3206 -0.2924000     0.6412000 
1 1 1 14 2  38 o 13.550  0.1770 0.4584000      0.3540000 
1 1 1 14 2  39 o 11.430  0.2011 -0.9217000E-01 0.4022000 
1 1 1 14 2  40 o 7.4040  0.3399 -0.2046000     0.6798000 
1 1 1 14 2  41 o 17.880  0.1677 -0.6311000E-01 0.3353000 
1 1 1 14 2  42 o 3.8200  0.5065 -0.3465000     1.013000  
1 1 1 14 2  43 o 7.2730  0.3044 0.2554000      0.6087000 
1 1 1 14 2  44 o 8.5140  0.2660 -0.7566000E-01 0.5320000 
1 1 1 14 2  45 o 10.330  0.2179 0.1808000      0.4359000 
1 1 1 14 2  46 o 12.250  0.1997 -0.4396000E-01 0.3994000 
1 1 1 14 2  47 o 6.5700  0.2987 -0.5833000E-01 0.5975000 
1 1 1 14 2  48 o 16.800  0.1471 0.8972000E-01  0.2942000 
1 1 1 14 2  49 o 10.810  0.1909 0.1403000      0.3819000 
1 1 1 14 2  50 o 1.2710  0.4335 -0.1326000E-01 0.8671000 
1 1 1 14 2  51 o 8.1560  0.2232 -0.1681000     0.4463000 
1 1 1 14 2  52 o 6.5900  0.2956 -0.2175000     0.5912000 
1 1 1 14 2  53 o 5.5930  0.3662 0.9613000      0.7325000 
1 1 1 14 2  54 o 2.0380  0.5789 0.8623000      1.158000  
1 1 1 14 2  55 o 5.8810  0.3167 -0.8144000E-01 0.6334000 
1 1 1 14 2  56 o 3.1920  0.5536 -0.3147000     1.107000  
1 1 1 14 2  57 f 5.5220  0.3619 0.7327000      0.7237000 
1 1 1 14 2  58 o 7.1630  0.2551 -0.1584000     0.5102000 
1 1 1 14 2  59 o 2.5200  0.5897 -0.4330000     1.179000  
1 1 1 14 2  60 o 5.6710  0.3164 -0.3241000     0.6327000 
1 1 1 14 2  61 o 3.6750  0.5137 1.163000       1.027000  
1 1 1 14 2  62 o 7.7160  0.2790 0.9663000      0.5579000 
1 1 1 14 2  63 f 7.2500  0.2915 -0.3663000     0.5829000 
1 1 1 14 2  64 o 1.9400  0.5570 -1.156000      1.114000  
1 1 1 14 2  65 o 10.230  0.2289 -0.5314000     0.4577000 
1 1 1 14 2  66 o 2.7250  0.6358 0.5047000      1.272000  
1 1 1 14 2  67 o 1.7420  0.5444 -0.3093000     1.089000  
1 1 1 14 2  68 o 5.4230  0.3616 0.7407000      0.7233000 
1 1 1 14 2  69 o 1.9780  0.6054 -0.5156000     1.211000  
1 1 1 14 3  0  o 2.3450  0.6728 0.000000       0.000000  
1 1 1 14 3  1  o 11.570  0.1260 -0.2216000     0.2520000 
1 1 1 14 3  2  o 15.230  0.1184 0.5342000E-01  0.2367000 
1 1 1 14 3  3  o 10.390  0.1323 -0.1263000     0.2645000 
1 1 1 14 3  4  o 17.420  0.1350 -0.2193000     0.2701000 
1 1 1 14 3  5  o 7.9700  0.1572 0.1650000E-01  0.3145000 
1 1 1 14 3  6  o 10.160  0.1462 -0.4298000     0.2924000 
1 1 1 14 3  7  o 9.0850  0.1518 0.3004000E-01  0.3035000 
1 1 1 14 3  8  o 5.5770  0.2198 -0.3379000     0.4397000 
1 1 1 14 3  9  o 8.1280  0.1659 -0.1932000     0.3318000 
1 1 1 14 3  10 o 9.3890  0.1528 0.1791000      0.3056000 
1 1 1 14 3  11 o 4.2350  0.2865 -0.2895000E-01 0.5731000 
1 1 1 14 3  12 o 12.190  0.1561 -0.9757000E-02 0.3122000 
1 1 1 14 3  13 f 11.750  0.1628 -0.8397000E-02 0.3256000 
1 1 1 14 3  14 o 6.0320  0.3358 -0.1239000     0.6717000 
1 1 1 14 3  15 o 13.950  0.2556 0.3277000      0.5111000 
1 1 1 14 3  16 o 22.480  0.2495 0.5411000      0.4989000 
1 1 1 14 3  17 o 11.280  0.1975 0.1642000      0.3950000 
1 1 1 14 3  18 o 8.1380  0.3198 0.3390000      0.6397000 
1 1 1 14 3  19 o 13.610  0.2491 0.2033000      0.4983000 
1 1 1 14 3  20 o 9.2510  0.3078 0.3168000      0.6156000 
1 1 1 14 3  21 o 26.250  0.1740 -0.3413000     0.3479000 
1 1 1 14 3  22 o 13.300  0.1772 0.1161000      0.3545000 
1 1 1 14 3  23 o 7.2220  0.2637 0.8181000      0.5275000 
1 1 1 14 3  24 o 9.5490  0.2195 0.1537000      0.4389000 
1 1 1 14 3  25 o 4.5200  0.4150 -0.7006000     0.8299000 
1 1 1 14 3  26 o 9.5880  0.1976 -0.8878000     0.3951000 
1 1 1 14 3  27 o 24.720  0.1519 -0.1006000     0.3039000 
1 1 1 14 3  28 o 10.560  0.1920 0.7555000      0.3841000 
1 1 1 14 3  29 o 14.810  0.1621 -0.1437000     0.3241000 
1 1 1 14 3  30 o 15.550  0.1602 -0.5171000E-01 0.3204000 
1 1 1 14 3  31 o 14.650  0.1665 -0.1818000E-02 0.3330000 
1 1 1 14 3  32 o 1.8220  0.5514 -0.6633000     1.103000  
1 1 1 14 3  33 o 20.780  0.1479 -0.2596000     0.2958000 
1 1 1 14 3  34 o 12.050  0.1809 -0.2986000     0.3618000 
1 1 1 14 3  35 o 19.140  0.1527 -0.4321000     0.3055000 
1 1 1 14 3  36 o 13.080  0.1790 -0.3822000     0.3580000 
1 1 1 14 3  37 o 20.130  0.1550 -0.8906000E-01 0.3099000 
1 1 1 14 3  38 o 5.9970  0.4068 0.1184000E-01  0.8137000 
1 1 1 14 3  39 o 15.300  0.1742 0.7356000      0.3485000 
1 1 1 14 3  40 o 9.8560  0.2533 0.8078000      0.5065000 
1 1 1 14 3  41 o 10.640  0.1982 0.4630000E-01  0.3964000 
1 1 1 14 3  42 o 8.3070  0.2672 -0.5322000     0.5343000 
1 1 1 14 3  43 o 8.8840  0.2638 -0.4590000E-01 0.5275000 
1 1 1 14 3  44 o 9.4630  0.2518 0.5543000      0.5036000 
1 1 1 14 3  45 o 6.1630  0.2996 0.2702000E-01  0.5991000 
1 1 1 14 3  46 o 10.680  0.1971 -0.4272000E-02 0.3942000 
1 1 1 14 3  47 o 2.1160  0.5930 -0.2421000     1.186000  
1 1 1 14 3  48 o 3.6600  0.5305 -0.4712000     1.061000  
1 1 1 14 3  49 o 10.050  0.2194 -0.3162000     0.4388000 
1 1 1 14 3  50 o 3.0640  0.5639 -1.441000      1.128000  
1 1 1 14 3  51 o 4.1970  0.4948 -1.823000      0.9896000 
1 1 1 14 3  52 o 6.2150  0.3412 -0.2924000     0.6825000 
1 1 1 14 3  53 o 4.2220  0.5074 -1.432000      1.015000  
1 1 1 14 3  54 o 7.3630  0.2573 0.9483000      0.5145000 
1 1 1 14 3  55 o 4.5690  0.3834 -0.3141000     0.7668000 
1 1 1 14 3  56 o 1.7970  0.5369 0.2233000      1.074000  
1 1 1 14 3  57 o 5.0030  0.3779 -1.715000      0.7559000 
1 1 1 14 3  58 o 5.1520  0.3712 0.6862000      0.7424000 
1 1 1 14 3  59 o 8.5500  0.2232 -0.3614000     0.4465000 
1 1 1 14 3  60 o 8.5860  0.2498 -0.5850000     0.4995000 
1 1 1 14 3  61 o 2.8790  0.5552 1.548000       1.110000  
1 1 1 14 3  62 o 2.0340  0.5597 -0.6877000     1.119000  
1 1 1 14 3  63 o 3.9720  0.4734 -0.4046000     0.9467000 
1 1 1 14 3  64 f 6.7260  0.2876 -0.4529000     0.5751000 
1 1 1 14 3  65 o 2.4970  0.5820 -0.3907000     1.164000  
1 1 1 14 3  66 o 2.9970  0.6020 0.4259000      1.204000  
1 1 1 14 3  67 o 2.4380  0.6308 -0.2785000     1.262000  
1 1 1 14 3  68 o 6.2300  0.3273 -0.4780000     0.6546000 
1 1 1 14 4  0  o 9.1230  0.2413 0.000000       0.000000  
1 1 1 14 4  1  o 15.780  0.1254 -0.1941000E-01 0.2507000 
1 1 1 14 4  2  o 9.2640  0.1427 -0.6772000     0.2854000 
1 1 1 14 4  3  o 6.3000  0.2090 0.4198000      0.4180000 
1 1 1 14 4  4  o 4.4930  0.2746 0.2168000      0.5492000 
1 1 1 14 4  5  o 6.2730  0.2003 -0.4833000     0.4007000 
1 1 1 14 4  6  o 14.620  0.1264 -0.3226000     0.2528000 
1 1 1 14 4  7  o 20.050  0.1286 -0.1532000     0.2572000 
1 1 1 14 4  8  o 4.8620  0.2477 0.8701000      0.4954000 
1 1 1 14 4  9  o 9.1110  0.1531 -0.1785000     0.3063000 
1 1 1 14 4  10 o 11.270  0.1404 0.3028000E-01  0.2808000 
1 1 1 14 4  11 o 8.2220  0.1706 0.4921000      0.3413000 
1 1 1 14 4  12 o 13.610  0.1544 -0.1030000     0.3089000 
1 1 1 14 4  13 o 12.820  0.2150 -0.5274000E-01 0.4299000 
1 1 1 14 4  14 o 5.2740  0.4991 0.1474000      0.9982000 
1 1 1 14 4  15 o 10.710  0.2914 0.6005000E-01  0.5829000 
1 1 1 14 4  16 o 3.7570  0.5928 -0.1719000     1.186000  
1 1 1 14 4  17 o 23.720  0.1807 -0.1548000     0.3614000 
1 1 1 14 4  18 o 15.250  0.2098 0.3889000      0.4195000 
1 1 1 14 4  19 o 11.070  0.2366 -0.1003000     0.4733000 
1 1 1 14 4  20 o 15.580  0.1760 -0.2651000     0.3520000 
1 1 1 14 4  21 o 11.810  0.1636 -0.3572000     0.3272000 
1 1 1 14 4  22 o 3.2960  0.5482 0.4402000      1.096000  
1 1 1 14 4  23 o 10.120  0.2120 0.3130000      0.4239000 
1 1 1 14 4  24 o 16.800  0.1729 -0.8603000     0.3458000 
1 1 1 14 4  25 o 10.740  0.1814 -0.5411000     0.3628000 
1 1 1 14 4  26 o 19.570  0.1480 0.3853000      0.2959000 
1 1 1 14 4  27 o 25.310  0.1540 0.1152000      0.3081000 
1 1 1 14 4  28 o 29.970  0.1642 0.2792000      0.3283000 
1 1 1 14 4  29 o 25.810  0.1565 0.4674000      0.3129000 
1 1 1 14 4  30 o 14.180  0.1669 0.3372000      0.3338000 
1 1 1 14 4  31 o 9.3140  0.2174 -0.1007000     0.4348000 
1 1 1 14 4  32 o 13.650  0.1659 -0.1276000     0.3319000 
1 1 1 14 4  33 o 27.430  0.1548 -0.1461000E-02 0.3097000 
1 1 1 14 4  34 o 7.7290  0.2627 0.8301000      0.5254000 
1 1 1 14 4  35 o 5.1140  0.3951 0.1170000E-01  0.7903000 
1 1 1 14 4  36 o 6.0750  0.3073 0.6937000E-01  0.6146000 
1 1 1 14 4  37 o 12.260  0.2003 0.4817000      0.4006000 
1 1 1 14 4  38 o 19.300  0.1651 -0.7854000     0.3302000 
1 1 1 14 4  39 o 15.370  0.1687 -0.7636000     0.3375000 
1 1 1 14 4  40 o 7.6700  0.2833 0.1125000      0.5665000 
1 1 1 14 4  41 o 4.5370  0.3898 -0.5211000     0.7796000 
1 1 1 14 4  42 o 6.1550  0.3643 1.484000       0.7287000 
1 1 1 14 4  43 o 5.0840  0.4746 -1.384000      0.9492000 
1 1 1 14 4  44 o 16.580  0.1785 0.5912000      0.3569000 
1 1 1 14 4  45 o 9.3110  0.2939 -0.2575000     0.5879000 
1 1 1 14 4  46 o 6.7460  0.4010 -0.9400000     0.8019000 
1 1 1 14 4  47 o 9.5470  0.3499 -0.6239000     0.6998000 
1 1 1 14 4  48 o 7.4770  0.2980 -1.016000      0.5960000 
1 1 1 14 4  49 o 3.2720  0.5472 -0.8674000     1.094000  
1 1 1 14 4  50 o 4.7640  0.4083 0.3030000      0.8166000 
1 1 1 14 4  51 o 10.300  0.2665 -0.6102000E-01 0.5331000 
1 1 1 14 4  52 o 11.140  0.2053 0.1864000      0.4105000 
1 1 1 14 4  53 o 4.2310  0.4317 -0.9016000     0.8635000 
1 1 1 14 4  54 o 5.8420  0.3069 -0.6592000     0.6139000 
1 1 1 14 4  55 o 5.0790  0.3421 0.5910000      0.6841000 
1 1 1 14 4  56 o 6.3950  0.2764 -0.3257000     0.5529000 
1 1 1 14 4  57 o 3.2440  0.5239 -0.7923000     1.048000  
1 1 1 14 4  58 o 3.8080  0.4652 -0.1438000     0.9304000 
1 1 1 14 4  59 f 7.4870  0.2690 0.4563000      0.5379000 
1 1 1 14 4  60 f 5.1470  0.3686 -0.3073000E-01 0.7371000 
1 1 1 14 4  61 o 9.4930  0.2358 0.4346000E-01  0.4715000 
1 1 1 14 4  62 o 3.0070  0.5838 -0.7050000     1.168000  
1 1 1 14 4  63 o 1.7810  0.5410 0.4016000      1.082000  
1 1 1 14 4  64 o 3.4830  0.4929 -0.4503000     0.9857000 
1 1 1 14 4  65 o 2.4950  0.5669 -0.5171000     1.134000  
1 1 1 14 4  66 o 4.8260  0.3557 -0.1649000     0.7115000 
1 1 1 14 4  67 o 2.1170  0.5842 0.2026000      1.168000  
1 1 1 14 4  68 o 3.8570  0.5904 -0.4230000E-03 1.181000  
1 1 1 14 5  0  o 6.7820  0.2642 0.000000       0.000000  
1 1 1 14 5  1  o 4.9700  0.2841 -0.4622000     0.5682000 
1 1 1 14 5  2  o 4.9350  0.2437 -0.5955000     0.4874000 
1 1 1 14 5  3  o 14.680  0.1749 0.4360000      0.3498000 
1 1 1 14 5  4  o 9.4680  0.1494 0.7255000E-01  0.2989000 
1 1 1 14 5  5  o 16.840  0.1259 -0.3402000     0.2519000 
1 1 1 14 5  6  o 7.2500  0.1788 -0.3948000     0.3575000 
1 1 1 14 5  7  o 22.290  0.1330 0.1514000      0.2660000 
1 1 1 14 5  8  f 1.6870  0.4613 -0.4943000     0.9226000 
1 1 1 14 5  9  o 2.0020  0.4629 -0.8668000     0.9257000 
1 1 1 14 5  10 f 16.450  0.1475 0.2007000E-01  0.2950000 
1 1 1 14 5  11 o 10.610  0.1824 -0.2680000     0.3648000 
1 1 1 14 5  12 o 21.160  0.1649 0.1391000      0.3298000 
1 1 1 14 5  13 o 11.070  0.1861 0.1223000      0.3721000 
1 1 1 14 5  14 o 14.160  0.2246 -0.9162000     0.4492000 
1 1 1 14 5  15 o 14.040  0.1752 -0.6855000E-01 0.3504000 
1 1 1 14 5  16 o 11.630  0.1738 0.2698000      0.3477000 
1 1 1 14 5  17 o 16.780  0.2034 -0.1740000     0.4068000 
1 1 1 14 5  18 o 13.670  0.2149 -0.3124000     0.4298000 
1 1 1 14 5  19 o 19.700  0.2213 ?              ?         
1 1 1 14 5  20 o 16.810  0.1468 -0.4999000     0.2935000 
1 1 1 14 5  21 o 20.990  0.1456 0.4164000      0.2913000 
1 1 1 14 5  22 o 1.8640  0.5141 0.8455000      1.028000  
1 1 1 14 5  23 o 3.2330  0.5034 1.201000       1.007000  
1 1 1 14 5  24 o 22.680  0.1723 -0.5925000     0.3446000 
1 1 1 14 5  25 o 13.620  0.1619 0.4858000      0.3238000 
1 1 1 14 5  26 o 29.610  0.1628 0.1665000      0.3257000 
1 1 1 14 5  27 o 21.000  0.1513 0.2487000      0.3026000 
1 1 1 14 5  28 o 22.620  0.1519 0.1213000      0.3039000 
1 1 1 14 5  29 o 3.7430  0.4652 0.6638000      0.9304000 
1 1 1 14 5  30 o 14.130  0.1543 -0.3877000     0.3086000 
1 1 1 14 5  31 o 4.5390  0.4083 1.668000       0.8166000 
1 1 1 14 5  32 o 13.500  0.1792 0.6484000      0.3585000 
1 1 1 14 5  33 o 19.380  0.1396 -0.1341000     0.2792000 
1 1 1 14 5  34 o 13.950  0.1574 0.6574000      0.3147000 
1 1 1 14 5  35 o 8.9300  0.2425 0.2447000      0.4850000 
1 1 1 14 5  36 o 8.1220  0.2365 -0.4775000     0.4730000 
1 1 1 14 5  37 o 11.020  0.2140 -0.2103000     0.4279000 
1 1 1 14 5  38 o 11.590  0.2102 -0.2198000     0.4204000 
1 1 1 14 5  39 o 24.760  0.1681 0.4156000      0.3362000 
1 1 1 14 5  40 o 13.980  0.1510 -0.3235000     0.3021000 
1 1 1 14 5  41 o 11.310  0.1869 -0.1993000     0.3739000 
1 1 1 14 5  42 o 7.2670  0.2787 -0.1508000     0.5574000 
1 1 1 14 5  43 o 14.720  0.1619 0.6208000      0.3238000 
1 1 1 14 5  44 o 3.1630  0.5880 0.6152000      1.176000  
1 1 1 14 5  45 o 5.3690  0.4208 -0.4448000     0.8416000 
1 1 1 14 5  46 o 9.8950  0.2451 0.2050000      0.4901000 
1 1 1 14 5  47 o 5.8230  0.3886 -0.5944000     0.7773000 
1 1 1 14 5  48 o 11.090  0.1968 0.1884000      0.3936000 
1 1 1 14 5  49 o 4.5900  0.4576 -0.5918000E-01 0.9151000 
1 1 1 14 5  50 o 7.6350  0.3419 0.3621000      0.6837000 
1 1 1 14 5  51 o 1.9330  0.5675 -0.3626000     1.135000  
1 1 1 14 5  52 o 7.2250  0.2652 0.6889000      0.5304000 
1 1 1 14 5  53 o 6.2830  0.2839 0.6376000      0.5678000 
1 1 1 14 5  54 o 5.3550  0.3796 -0.1578000     0.7592000 
1 1 1 14 5  55 o 5.8500  0.3047 -0.7841000     0.6094000 
1 1 1 14 5  56 o 4.7400  0.3671 0.6298000      0.7343000 
1 1 1 14 5  57 o 10.650  0.1875 -0.2429000     0.3749000 
1 1 1 14 5  58 o 7.5680  0.2424 -0.3352000     0.4847000 
1 1 1 14 5  59 o 4.0260  0.4168 -0.2120000     0.8336000 
1 1 1 14 5  60 o 7.3720  0.2499 0.1705000      0.4999000 
1 1 1 14 5  61 o 2.3120  0.5670 0.5053000      1.134000  
1 1 1 14 5  62 o 7.3190  0.2538 -0.8893000     0.5075000 
1 1 1 14 5  63 o 2.9270  0.5391 0.4654000      1.078000  
1 1 1 14 5  64 o 7.7720  0.2513 -0.7117000     0.5025000 
1 1 1 14 5  65 o 7.2950  0.2643 0.7365000      0.5286000 
1 1 1 14 5  66 o 2.0980  0.6059 0.3653000      1.212000  
1 1 1 14 5  67 o 1.9760  0.5410 -1.120000      1.082000  
1 1 1 14 5  68 o 3.5510  0.5811 0.8744000      1.162000  
1 1 1 14 6  0  o 7.2570  0.3226 0.000000       0.000000  
1 1 1 14 6  1  o 8.4820  0.2257 -0.3063000     0.4514000 
1 1 1 14 6  2  o 5.7150  0.2368 0.1229000      0.4736000 
1 1 1 14 6  3  o 8.8670  0.1667 -0.1518000     0.3334000 
1 1 1 14 6  4  o 3.4520  0.3780 0.1711000      0.7560000 
1 1 1 14 6  5  o 11.950  0.1448 0.6527000      0.2897000 
1 1 1 14 6  6  o 5.7690  0.2316 -0.2410000     0.4632000 
1 1 1 14 6  7  o 19.030  0.1283 0.2564000      0.2566000 
1 1 1 14 6  8  o 13.260  0.1329 0.6360000E-01  0.2658000 
1 1 1 14 6  9  o 9.9550  0.1650 0.4526000E-01  0.3300000 
1 1 1 14 6  10 o 7.7470  0.2211 0.7031000E-01  0.4422000 
1 1 1 14 6  11 o 17.460  0.1610 0.2274000      0.3220000 
1 1 1 14 6  12 o 8.1990  0.2166 -0.7386000E-01 0.4332000 
1 1 1 14 6  13 o 14.660  0.1585 -0.2820000E-01 0.3170000 
1 1 1 14 6  14 o 5.6450  0.2681 -0.1254000     0.5362000 
1 1 1 14 6  15 o 10.690  0.1955 -0.4714000     0.3909000 
1 1 1 14 6  16 o 10.600  0.1939 -0.2043000     0.3878000 
1 1 1 14 6  17 o 6.9460  0.3169 0.1497000      0.6339000 
1 1 1 14 6  18 o 2.6180  0.6291 -0.8826000     1.258000  
1 1 1 14 6  19 o 39.910  0.2102 -0.1263000     0.4204000 
1 1 1 14 6  20 o 9.7040  0.1871 0.8362000      0.3741000 
1 1 1 14 6  21 o 7.8420  0.2175 -0.8640000E-01 0.4349000 
1 1 1 14 6  22 o 9.3830  0.1802 -0.4466000     0.3605000 
1 1 1 14 6  23 o 24.290  0.1427 -0.3431000     0.2855000 
1 1 1 14 6  24 o 11.960  0.1630 -0.3025000     0.3261000 
1 1 1 14 6  25 o 11.580  0.1696 0.8856000E-01  0.3393000 
1 1 1 14 6  26 o 9.9880  0.1692 0.1879000      0.3383000 
1 1 1 14 6  27 o 15.640  0.1443 -0.2758000     0.2886000 
1 1 1 14 6  28 o 15.600  0.1454 -0.6887000     0.2908000 
1 1 1 14 6  29 o 5.9830  0.2831 0.1273000      0.5662000 
1 1 1 14 6  30 o 14.580  0.1519 -0.9594000E-01 0.3037000 
1 1 1 14 6  31 o 12.880  0.1568 0.8256000E-01  0.3136000 
1 1 1 14 6  32 o 11.970  0.1667 0.5814000      0.3335000 
1 1 1 14 6  33 o 16.700  0.1472 -0.2859000     0.2944000 
1 1 1 14 6  34 f 16.740  0.1638 0.1215000      0.3275000 
1 1 1 14 6  35 o 6.0030  0.3107 0.2364000      0.6214000 
1 1 1 14 6  36 o 1.4990  0.4951 -0.3852000     0.9903000 
1 1 1 14 6  37 o 22.290  0.1755 -0.2651000     0.3510000 
1 1 1 14 6  38 o 11.010  0.2246 0.2032000E-01  0.4492000 
1 1 1 14 6  39 o 10.030  0.2176 -0.9628000E-01 0.4353000 
1 1 1 14 6  40 o 9.7600  0.2401 0.1794000      0.4803000 
1 1 1 14 6  41 o 8.0550  0.2214 -0.2336000     0.4429000 
1 1 1 14 6  42 o 10.700  0.1827 0.1251000E-01  0.3654000 
1 1 1 14 6  43 o 14.530  0.1568 0.5025000      0.3137000 
1 1 1 14 6  44 o 11.190  0.1935 -0.6487000     0.3870000 
1 1 1 14 6  45 o 8.8910  0.2179 0.2958000      0.4358000 
1 1 1 14 6  46 o 8.3370  0.2192 -0.3139000     0.4385000 
1 1 1 14 6  47 o 2.1440  0.5802 0.1535000      1.160000  
1 1 1 14 6  48 o 4.2910  0.4901 0.3674000      0.9802000 
1 1 1 14 6  49 o 10.600  0.2168 -0.5436000     0.4336000 
1 1 1 14 6  50 o 8.8880  0.2667 0.9537000E-01  0.5333000 
1 1 1 14 6  51 o 2.9630  0.6590 0.6628000      1.318000  
1 1 1 14 6  52 o 13.440  0.1881 -0.4799000     0.3761000 
1 1 1 14 6  53 o 11.170  0.2204 0.4042000      0.4408000 
1 1 1 14 6  54 f 8.0220  0.2315 -1.079000      0.4631000 
1 1 1 14 6  55 o 2.7400  0.5653 -0.4222000     1.131000  
1 1 1 14 6  56 o 6.5710  0.2697 -0.2502000     0.5395000 
1 1 1 14 6  57 o 4.0740  0.3773 -0.4129000     0.7546000 
1 1 1 14 6  58 o 6.2560  0.2782 0.1346000      0.5564000 
1 1 1 14 6  59 o 4.7750  0.4059 -1.084000      0.8118000 
1 1 1 14 6  60 o 6.2290  0.2848 0.3260000      0.5696000 
1 1 1 14 6  61 o 2.3100  0.5698 0.6724000      1.140000  
1 1 1 14 6  62 o 2.4410  0.5611 0.9398000      1.122000  
1 1 1 14 6  63 o 5.7350  0.3199 -0.4483000E-01 0.6398000 
1 1 1 14 6  64 o 3.1960  0.5298 -0.9556000     1.060000  
1 1 1 14 6  65 o 4.8920  0.3688 0.6471000      0.7375000 
1 1 1 14 6  66 f 4.3870  0.4324 -0.8518000     0.8648000 
1 1 1 14 6  67 o 4.9570  0.4696 -0.1615000     0.9393000 
1 1 1 14 6  68 o 7.8770  0.3704 1.486000       0.7409000 
1 1 1 14 7  0  o 35.740  0.4131 0.000000       0.000000  
1 1 1 14 7  1  o 11.660  0.1604 0.2644000      0.3208000 
1 1 1 14 7  2  o 10.650  0.1868 -0.5013000     0.3735000 
1 1 1 14 7  3  o 5.5760  0.2400 0.2545000      0.4800000 
1 1 1 14 7  4  o 7.8400  0.1858 0.2794000E-01  0.3717000 
1 1 1 14 7  5  o 8.8970  0.1703 -0.5866000     0.3406000 
1 1 1 14 7  6  o 14.340  0.1407 0.1194000      0.2815000 
1 1 1 14 7  7  o 8.8090  0.1757 0.4253000      0.3513000 
1 1 1 14 7  8  o 17.190  0.1409 -0.1549000     0.2817000 
1 1 1 14 7  9  o 1.8900  0.5344 0.3914000E-01  1.069000  
1 1 1 14 7  10 o 8.7950  0.2075 0.3063000      0.4149000 
1 1 1 14 7  11 o 9.7500  0.1966 -0.7081000E-01 0.3932000 
1 1 1 14 7  12 f 9.7660  0.1513 0.1529000      0.3027000 
1 1 1 14 7  13 o 8.3010  0.2596 ?              ?         
1 1 1 14 7  14 o 9.9280  0.2184 0.2143000      0.4368000 
1 1 1 14 7  15 o 2.0220  0.5403 -0.1808000     1.081000  
1 1 1 14 7  16 o 4.4190  0.6555 ?              ?         
1 1 1 14 7  17 o 13.010  0.1552 -0.2083000     0.3104000 
1 1 1 14 7  18 o 12.000  0.1643 0.2113000      0.3287000 
1 1 1 14 7  19 o 3.5370  0.4268 0.6265000      0.8535000 
1 1 1 14 7  20 o 29.780  0.1515 -0.1129000     0.3031000 
1 1 1 14 7  21 o 15.220  0.1426 -0.2883000     0.2852000 
1 1 1 14 7  22 o 22.400  0.1400 0.2033000E-01  0.2801000 
1 1 1 14 7  23 o 6.2960  0.2594 -1.101000      0.5188000 
1 1 1 14 7  24 o 22.700  0.1428 -0.4965000     0.2856000 
1 1 1 14 7  25 f 16.600  0.1464 0.9148000E-01  0.2928000 
1 1 1 14 7  26 o 4.5860  0.3331 0.2876000E-01  0.6662000 
1 1 1 14 7  27 o 12.590  0.1481 -0.1732000     0.2962000 
1 1 1 14 7  28 o 13.760  0.1440 -0.1896000     0.2880000 
1 1 1 14 7  29 f 24.410  0.1361 0.3001000      0.2723000 
1 1 1 14 7  30 o 6.6460  0.2515 0.4089000      0.5030000 
1 1 1 14 7  31 o 11.400  0.1678 -0.1404000     0.3356000 
1 1 1 14 7  32 o 19.430  0.1608 -0.3403000     0.3216000 
1 1 1 14 7  33 o 17.170  0.1504 0.2275000      0.3009000 
1 1 1 14 7  34 o 5.2040  0.3480 -0.4885000     0.6959000 
1 1 1 14 7  35 o 11.410  0.1877 0.8572000      0.3754000 
1 1 1 14 7  36 o 10.700  0.2144 -0.3815000     0.4287000 
1 1 1 14 7  37 o 10.280  0.2385 1.264000       0.4770000 
1 1 1 14 7  38 o 12.030  0.2080 0.6510000      0.4160000 
1 1 1 14 7  39 o 7.1330  0.3558 0.6612000      0.7116000 
1 1 1 14 7  40 o 11.950  0.2303 0.6565000E-01  0.4607000 
1 1 1 14 7  41 o 5.4350  0.4414 0.5141000      0.8829000 
1 1 1 14 7  42 o 6.1620  0.2703 0.3530000E-01  0.5407000 
1 1 1 14 7  43 o 14.970  0.1445 1.090000       0.2890000 
1 1 1 14 7  44 o 10.320  0.1878 0.3972000      0.3756000 
1 1 1 14 7  45 o 13.080  0.1633 0.7752000E-01  0.3266000 
1 1 1 14 7  46 o 10.430  0.1858 0.2778000E-01  0.3717000 
1 1 1 14 7  47 o 6.8560  0.3030 -0.3848000     0.6060000 
1 1 1 14 7  48 o 12.460  0.1735 0.2882000      0.3470000 
1 1 1 14 7  49 o 2.5250  0.6104 -0.4817000     1.221000  
1 1 1 14 7  50 o 9.9610  0.2252 -0.4821000     0.4505000 
1 1 1 14 7  51 o 4.1610  0.5449 -0.2455000     1.090000  
1 1 1 14 7  52 o 2.8050  0.6614 -0.8765000E-02 1.323000  
1 1 1 14 7  53 o 1.9450  0.5456 -1.382000      1.091000  
1 1 1 14 7  54 o 2.7920  0.5378 -1.456000      1.076000  
1 1 1 14 7  55 o 2.8050  0.5118 -1.360000      1.024000  
1 1 1 14 7  56 o 1.6980  0.5041 0.6679000      1.008000  
1 1 1 14 7  57 o 7.6560  0.2362 0.1795000E-01  0.4723000 
1 1 1 14 7  58 o 4.9360  0.3722 0.8296000      0.7443000 
1 1 1 14 7  59 o 3.5870  0.4699 -0.4099000     0.9397000 
1 1 1 14 7  60 f 4.6320  0.3822 0.7950000      0.7644000 
1 1 1 14 7  61 o 6.3180  0.2854 -0.7741000E-01 0.5708000 
1 1 1 14 7  62 o 4.4100  0.3976 -0.9941000E-01 0.7953000 
1 1 1 14 7  63 o 4.7700  0.3935 0.6341000      0.7870000 
1 1 1 14 7  64 o 2.7830  0.5699 -1.288000      1.140000  
1 1 1 14 7  65 o 4.8520  0.4002 -0.1225000     0.8004000 
1 1 1 14 7  66 o 1.8620  0.5666 0.2342000      1.133000  
1 1 1 14 7  67 o 3.1480  0.6079 -0.5956000     1.216000  
1 1 1 14 8  0  o 4.7780  0.3661 0.000000       0.000000  
1 1 1 14 8  1  o 18.040  0.1423 -0.6945000     0.2846000 
1 1 1 14 8  2  o 4.4970  0.3921 -0.5282000     0.7841000 
1 1 1 14 8  3  f 4.0020  0.4028 0.2843000      0.8056000 
1 1 1 14 8  4  o 19.030  0.1323 -0.4356000     0.2646000 
1 1 1 14 8  5  o 8.9410  0.1632 0.4161000      0.3265000 
1 1 1 14 8  6  o 9.2160  0.1608 -0.1820000E-01 0.3217000 
1 1 1 14 8  7  o 10.410  0.1601 -0.4483000     0.3202000 
1 1 1 14 8  8  o 7.2900  0.1916 -0.7017000     0.3832000 
1 1 1 14 8  9  o 27.490  0.1704 -0.6734000     0.3407000 
1 1 1 14 8  10 o 5.4330  0.3022 -0.1682000     0.6043000 
1 1 1 14 8  11 o 11.170  0.1811 -0.3678000     0.3622000 
1 1 1 14 8  12 o 24.380  0.1790 -0.1788000     0.3581000 
1 1 1 14 8  13 o 12.680  0.1997 0.2474000      0.3995000 
1 1 1 14 8  14 o 18.590  0.2132 ?              ?         
1 1 1 14 8  15 o 12.660  0.1843 -0.3003000     0.3687000 
1 1 1 14 8  16 o 6.5820  0.2316 -0.2548000E-01 0.4632000 
1 1 1 14 8  17 o 19.870  0.1311 -0.2193000     0.2623000 
1 1 1 14 8  18 o 10.430  0.1500 0.3258000      0.2999000 
1 1 1 14 8  19 o 8.7180  0.1692 0.1791000      0.3383000 
1 1 1 14 8  20 o 6.7290  0.2354 -0.3072000     0.4709000 
1 1 1 14 8  21 o 7.6370  0.2153 0.1333000      0.4307000 
1 1 1 14 8  22 o 12.000  0.1602 -0.2190000     0.3204000 
1 1 1 14 8  23 o 5.6290  0.2866 -0.5624000     0.5732000 
1 1 1 14 8  24 o 19.410  0.1528 -0.2678000     0.3057000 
1 1 1 14 8  25 o 17.470  0.1464 0.2778000      0.2927000 
1 1 1 14 8  26 o 18.260  0.1474 -0.1985000     0.2948000 
1 1 1 14 8  27 o 13.170  0.1668 0.1356000      0.3335000 
1 1 1 14 8  28 o 31.920  0.1489 0.2702000      0.2977000 
1 1 1 14 8  29 o 29.030  0.1439 -0.2881000E-01 0.2878000 
1 1 1 14 8  30 o 17.000  0.1582 -0.7058000     0.3163000 
1 1 1 14 8  31 o 4.6690  0.4451 -0.8470000     0.8901000 
1 1 1 14 8  32 o 16.020  0.2024 0.9083000      0.4048000 
1 1 1 14 8  33 o 13.790  0.2129 0.5585000      0.4259000 
1 1 1 14 8  34 o 8.0270  0.3226 0.4333000      0.6452000 
1 1 1 14 8  35 o 13.700  0.2676 -0.8068000E-01 0.5351000 
1 1 1 14 8  36 o 4.1910  0.6889 -2.456000      1.378000  
1 1 1 14 8  37 o 18.960  0.1792 0.2496000      0.3584000 
1 1 1 14 8  38 o 13.370  0.2208 0.2683000      0.4416000 
1 1 1 14 8  39 o 10.370  0.2639 0.7251000      0.5279000 
1 1 1 14 8  40 o 15.760  0.1943 -0.7462000E-01 0.3886000 
1 1 1 14 8  41 o 20.580  0.1775 0.2156000      0.3551000 
1 1 1 14 8  42 o 12.040  0.2286 0.1949000      0.4572000 
1 1 1 14 8  43 o 1.7050  0.5603 -0.7510000E-01 1.121000  
1 1 1 14 8  44 o 9.5310  0.2379 -0.1395000     0.4759000 
1 1 1 14 8  45 o 12.370  0.1988 0.2108000      0.3976000 
1 1 1 14 8  46 o 4.3450  0.5991 -0.6381000E-01 1.198000  
1 1 1 14 8  47 o 16.710  0.1725 -0.1769000E-01 0.3451000 
1 1 1 14 8  48 o 7.3310  0.3318 -1.025000      0.6635000 
1 1 1 14 8  49 o 8.8080  0.2667 0.4542000      0.5335000 
1 1 1 14 8  50 o 3.4410  0.4609 -1.188000      0.9217000 
1 1 1 14 8  51 o 5.4080  0.2862 0.8112000      0.5725000 
1 1 1 14 8  52 o 1.8410  0.5218 -0.2537000     1.044000  
1 1 1 14 8  53 o 8.2700  0.2013 0.3257000      0.4025000 
1 1 1 14 8  54 o 5.6020  0.3581 0.4199000      0.7162000 
1 1 1 14 8  55 o 7.6540  0.2797 1.358000       0.5594000 
1 1 1 14 8  56 o 2.5670  0.6609 -0.2156000     1.322000  
1 1 1 14 8  57 o 2.8570  0.5700 -0.2115000     1.140000  
1 1 1 14 8  58 o 3.2000  0.5053 0.4335000      1.011000  
1 1 1 14 8  59 o 4.4290  0.3796 0.1250000      0.7592000 
1 1 1 14 8  60 f 2.3560  0.5683 0.4874000      1.137000  
1 1 1 14 8  61 o 7.3530  0.2425 0.9442000      0.4850000 
1 1 1 14 8  62 o 2.0080  0.5703 -0.1120000     1.141000  
1 1 1 14 8  63 o 2.9440  0.5851 0.4983000      1.170000  
1 1 1 14 8  64 o 3.3380  0.5603 0.5134000E-01  1.121000  
1 1 1 14 8  65 o 7.9570  0.2562 0.6531000      0.5123000 
1 1 1 14 8  66 o 3.5130  0.5514 1.039000       1.103000  
1 1 1 14 8  67 o 2.3230  0.5413 -1.847000      1.083000  
1 1 1 14 9  0  o 0.9826  0.6493 0.000000       0.000000  
1 1 1 14 9  1  o 5.2540  0.2406 0.3636000      0.4813000 
1 1 1 14 9  2  o 15.260  0.1288 0.5598000      0.2577000 
1 1 1 14 9  3  o 11.590  0.1577 0.4675000      0.3154000 
1 1 1 14 9  4  o 13.590  0.1352 -0.8562000E-01 0.2704000 
1 1 1 14 9  5  o 9.6680  0.1911 0.1130000      0.3822000 
1 1 1 14 9  6  o 9.9200  0.1476 -0.2583000     0.2951000 
1 1 1 14 9  7  f 22.570  0.1345 -0.1235000     0.2691000 
1 1 1 14 9  8  o 16.520  0.1289 0.1247000      0.2579000 
1 1 1 14 9  9  o 9.4590  0.1792 0.6055000      0.3585000 
1 1 1 14 9  10 o 9.1530  0.2449 0.5590000      0.4899000 
1 1 1 14 9  11 o 22.160  0.2315 ?              ?         
1 1 1 14 9  12 o 14.610  0.1543 -0.5815000E-01 0.3087000 
1 1 1 14 9  13 o 15.050  0.2148 -0.4025000E-03 0.4297000 
1 1 1 14 9  14 o 15.920  0.1600 -0.2525000E-01 0.3200000 
1 1 1 14 9  15 o 11.700  0.1821 0.8574000E-01  0.3642000 
1 1 1 14 9  16 o 6.8590  0.1925 0.5060000      0.3849000 
1 1 1 14 9  17 o 8.0880  0.1651 -0.2245000     0.3302000 
1 1 1 14 9  18 o 1.3490  0.4134 0.4370000      0.8268000 
1 1 1 14 9  19 o 7.3120  0.1779 0.4884000      0.3557000 
1 1 1 14 9  20 o 22.060  0.1178 0.1194000E-01  0.2355000 
1 1 1 14 9  21 o 8.8260  0.1838 0.3327000      0.3676000 
1 1 1 14 9  22 o 20.940  0.1426 -0.6788000     0.2851000 
1 1 1 14 9  23 o 15.210  0.1498 -0.3407000     0.2997000 
1 1 1 14 9  24 o 18.600  0.1456 0.6460000      0.2911000 
1 1 1 14 9  25 o 6.8300  0.2548 -0.1149000E-01 0.5096000 
1 1 1 14 9  26 f 8.2210  0.2253 0.8115000E-01  0.4506000 
1 1 1 14 9  27 o 17.160  0.1658 0.1959000      0.3317000 
1 1 1 14 9  28 o 18.860  0.1650 -0.1660000     0.3299000 
1 1 1 14 9  29 f 12.150  0.2308 -0.9785000E-01 0.4615000 
1 1 1 14 9  30 o 7.1590  0.2857 -0.8008000     0.5714000 
1 1 1 14 9  31 o 15.270  0.1794 -0.2812000E-01 0.3587000 
1 1 1 14 9  32 o 20.370  0.1656 0.5415000E-01  0.3312000 
1 1 1 14 9  33 o 7.3740  0.2738 0.1620000      0.5477000 
1 1 1 14 9  34 o 14.590  0.1894 -0.1430000E-01 0.3788000 
1 1 1 14 9  35 o 6.2310  0.4725 -0.3958000     0.9451000 
1 1 1 14 9  36 o 11.080  0.2375 0.2095000      0.4749000 
1 1 1 14 9  37 o 3.7300  0.6586 0.3508000      1.317000  
1 1 1 14 9  38 o 8.6350  0.3108 0.7369000      0.6217000 
1 1 1 14 9  39 o 16.450  0.1913 0.4111000      0.3826000 
1 1 1 14 9  40 o 9.8350  0.2665 0.4935000E-01  0.5330000 
1 1 1 14 9  41 o 12.000  0.2671 -1.460000      0.5342000 
1 1 1 14 9  42 o 1.6740  0.5525 -0.2308000     1.105000  
1 1 1 14 9  43 f 15.920  0.1955 -0.3921000     0.3910000 
1 1 1 14 9  44 o 3.4150  0.6915 0.6128000      1.383000  
1 1 1 14 9  45 o 10.450  0.2697 0.1709000      0.5394000 
1 1 1 14 9  46 o 3.1170  0.6019 0.5207000      1.204000  
1 1 1 14 9  47 f 6.2300  0.2459 -0.7468000E-01 0.4917000 
1 1 1 14 9  48 o 12.320  0.1568 0.2675000      0.3136000 
1 1 1 14 9  49 o 6.5190  0.2438 -0.4843000     0.4877000 
1 1 1 14 9  50 o 4.3490  0.4643 -0.2383000     0.9285000 
1 1 1 14 9  51 o 7.5020  0.2730 0.7586000E-01  0.5460000 
1 1 1 14 9  52 o 12.190  0.1941 0.5229000      0.3882000 
1 1 1 14 9  53 o 3.4910  0.4471 -0.7480000     0.8941000 
1 1 1 14 9  54 o 10.930  0.1664 0.4683000      0.3329000 
1 1 1 14 9  55 o 7.7430  0.2322 0.5512000      0.4644000 
1 1 1 14 9  56 o 2.7230  0.6288 0.4940000      1.258000  
1 1 1 14 9  57 o 3.0560  0.5973 1.197000       1.195000  
1 1 1 14 9  58 o 5.2110  0.4237 1.067000       0.8473000 
1 1 1 14 9  59 o 5.0540  0.3626 -1.388000      0.7253000 
1 1 1 14 9  60 o 3.2990  0.5215 0.7383000      1.043000  
1 1 1 14 9  61 o 3.1720  0.5483 -0.6287000     1.097000  
1 1 1 14 9  62 o 6.4710  0.2877 -0.5276000     0.5754000 
1 1 1 14 9  63 o 3.9840  0.4738 0.3381000      0.9476000 
1 1 1 14 9  64 o 7.0480  0.2848 -0.9499000     0.5695000 
1 1 1 14 9  65 o 1.9330  0.5724 0.6199000      1.145000  
1 1 1 14 9  66 o 2.8710  0.5456 1.914000       1.091000  
1 1 1 14 10 0  o 18.350  0.1838 0.000000       0.000000  
1 1 1 14 10 1  o 11.490  0.1442 0.9041000E-01  0.2885000 
1 1 1 14 10 2  o 10.650  0.1493 -0.6303000     0.2986000 
1 1 1 14 10 3  o 19.520  0.1315 0.1870000      0.2630000 
1 1 1 14 10 4  o 9.9090  0.1563 -0.4836000     0.3125000 
1 1 1 14 10 5  o 14.060  0.1494 0.5457000      0.2989000 
1 1 1 14 10 6  o 19.990  0.1753 0.1181000      0.3506000 
1 1 1 14 10 7  o 9.1650  0.1692 0.2489000      0.3385000 
1 1 1 14 10 8  o 6.6590  0.2091 -0.2791000     0.4183000 
1 1 1 14 10 9  o 18.190  0.1314 -0.2292000     0.2627000 
1 1 1 14 10 10 o 12.540  0.1725 -0.4968000     0.3451000 
1 1 1 14 10 11 o 19.910  0.2388 -0.6293000E-01 0.4777000 
1 1 1 14 10 12 o 8.5200  0.2038 0.3289000      0.4076000 
1 1 1 14 10 13 o 17.050  0.2133 0.2628000      0.4266000 
1 1 1 14 10 14 o 26.310  0.2193 0.5653000      0.4386000 
1 1 1 14 10 15 o 4.5240  0.4137 -0.7588000     0.8274000 
1 1 1 14 10 16 o 10.150  0.1433 0.6994000      0.2866000 
1 1 1 14 10 17 o 15.670  0.1263 0.7652000      0.2526000 
1 1 1 14 10 18 o 13.470  0.1284 -0.3271000E-01 0.2568000 
1 1 1 14 10 19 o 22.830  0.1260 -0.2021000     0.2521000 
1 1 1 14 10 20 o 1.6120  0.4573 0.4342000      0.9146000 
1 1 1 14 10 21 o 10.740  0.1453 0.2936000      0.2906000 
1 1 1 14 10 22 o 15.850  0.1386 -0.2763000E-01 0.2773000 
1 1 1 14 10 23 o 21.320  0.1591 0.2430000      0.3181000 
1 1 1 14 10 24 o 11.860  0.1894 -0.5033000     0.3789000 
1 1 1 14 10 25 o 8.6290  0.2407 0.7290000      0.4815000 
1 1 1 14 10 26 o 20.760  0.1480 0.5194000      0.2960000 
1 1 1 14 10 27 o 11.190  0.1857 -0.4765000E-01 0.3714000 
1 1 1 14 10 28 o 1.8910  0.5668 -0.1986000     1.134000  
1 1 1 14 10 29 o 11.370  0.1813 -0.1548000E-01 0.3626000 
1 1 1 14 10 30 o 9.5600  0.2047 0.5039000E-01  0.4093000 
1 1 1 14 10 31 o 11.150  0.1837 -0.2666000     0.3673000 
1 1 1 14 10 32 o 11.900  0.1976 -0.4268000     0.3951000 
1 1 1 14 10 33 o 9.7160  0.2360 -0.5204000     0.4720000 
1 1 1 14 10 34 o 7.0920  0.3218 0.9766000      0.6436000 
1 1 1 14 10 35 o 5.3950  0.3868 1.233000       0.7737000 
1 1 1 14 10 36 o 3.7240  0.5570 0.5250000      1.114000  
1 1 1 14 10 37 o 18.390  0.1694 0.1933000      0.3389000 
1 1 1 14 10 38 o 16.660  0.1937 0.1871000      0.3874000 
1 1 1 14 10 39 o 10.950  0.2479 0.7056000      0.4958000 
1 1 1 14 10 40 o 7.1670  0.3496 0.1373000      0.6992000 
1 1 1 14 10 41 o 11.650  0.2352 0.5867000E-01  0.4705000 
1 1 1 14 10 42 o 11.280  0.2387 0.2995000      0.4775000 
1 1 1 14 10 43 o 7.4400  0.2689 0.9713000E-02  0.5378000 
1 1 1 14 10 44 o 7.7620  0.2880 -0.5220000     0.5760000 
1 1 1 14 10 45 o 7.3740  0.3562 -0.1792000     0.7124000 
1 1 1 14 10 46 o 4.5860  0.4631 -0.4788000     0.9262000 
1 1 1 14 10 47 o 5.0540  0.2828 0.2793000      0.5655000 
1 1 1 14 10 48 o 5.7430  0.2561 -0.5202000     0.5123000 
1 1 1 14 10 49 o 3.1730  0.4574 -0.8901000     0.9149000 
1 1 1 14 10 50 o 6.5070  0.2216 -0.4022000E-01 0.4433000 
1 1 1 14 10 51 o 10.730  0.1572 0.2464000      0.3144000 
1 1 1 14 10 52 o 5.8070  0.2549 0.9528000      0.5098000 
1 1 1 14 10 53 o 10.080  0.2216 0.8372000E-01  0.4432000 
1 1 1 14 10 54 o 2.4190  0.6280 2.064000       1.256000  
1 1 1 14 10 55 o 5.7690  0.4120 0.9486000      0.8241000 
1 1 1 14 10 56 o 4.6610  0.3456 -0.1889000     0.6912000 
1 1 1 14 10 57 o 5.1250  0.3437 0.3758000      0.6875000 
1 1 1 14 10 58 o 2.6070  0.5411 1.295000       1.082000  
1 1 1 14 10 59 o 1.8680  0.5767 -0.3864000     1.153000  
1 1 1 14 10 60 f 9.0000  0.2602 0.5600000E-01  0.5203000 
1 1 1 14 10 61 o 9.1930  0.2115 0.8265000      0.4230000 
1 1 1 14 10 62 o 1.8440  0.5429 -0.1243000     1.086000  
1 1 1 14 10 63 o 6.3180  0.2859 0.4700000      0.5717000 
1 1 1 14 10 64 o 4.4740  0.4126 0.4108000      0.8253000 
1 1 1 14 10 65 o 7.3000  0.2771 -0.3326000     0.5543000 
1 1 1 14 10 66 o 2.0560  0.5821 1.081000       1.164000  
1 1 1 14 11 0  o 7.3870  0.2826 0.000000       0.000000  
1 1 1 14 11 1  o 17.890  0.1334 0.1759000      0.2668000 
1 1 1 14 11 2  o 7.2320  0.2022 0.1878000      0.4044000 
1 1 1 14 11 3  f 4.8410  0.2884 -0.6778000E-01 0.5767000 
1 1 1 14 11 4  o 13.840  0.1402 0.3327000      0.2803000 
1 1 1 14 11 5  o 20.510  0.1357 0.3925000      0.2713000 
1 1 1 14 11 6  o 16.580  0.1488 0.1387000      0.2976000 
1 1 1 14 11 7  o 6.5220  0.2460 -0.1810000     0.4919000 
1 1 1 14 11 8  o 23.320  0.1484 0.3442000      0.2967000 
1 1 1 14 11 9  o 6.6930  0.2437 -0.6755000     0.4874000 
1 1 1 14 11 10 o 13.150  0.1795 0.7167000      0.3589000 
1 1 1 14 11 11 o 7.0830  0.2373 0.1193000      0.4745000 
1 1 1 14 11 12 o 6.1600  0.3282 0.8985000      0.6564000 
1 1 1 14 11 13 o 20.930  0.1582 -0.2426000     0.3164000 
1 1 1 14 11 14 o 25.800  0.1729 -0.1807000     0.3458000 
1 1 1 14 11 15 o 5.2870  0.3739 -0.9487000     0.7478000 
1 1 1 14 11 16 o 11.300  0.1514 0.1712000E-01  0.3027000 
1 1 1 14 11 17 o 15.120  0.1349 0.4013000E-01  0.2698000 
1 1 1 14 11 18 o 10.440  0.1520 0.2785000E-01  0.3041000 
1 1 1 14 11 19 o 16.360  0.1228 -0.2519000     0.2456000 
1 1 1 14 11 20 o 3.0990  0.4319 -0.7239000     0.8638000 
1 1 1 14 11 21 o 14.090  0.1274 0.5384000      0.2547000 
1 1 1 14 11 22 o 7.7080  0.1747 0.7003000      0.3495000 
1 1 1 14 11 23 o 9.4350  0.1711 0.7593000      0.3423000 
1 1 1 14 11 24 o 7.4110  0.2438 -0.2597000     0.4876000 
1 1 1 14 11 25 o 21.340  0.1437 -0.7551000E-01 0.2873000 
1 1 1 14 11 26 o 14.950  0.1749 0.7036000E-01  0.3498000 
1 1 1 14 11 27 o 19.430  0.1667 0.5187000E-01  0.3335000 
1 1 1 14 11 28 o 6.3670  0.2913 0.5558000      0.5826000 
1 1 1 14 11 29 o 13.910  0.1599 0.1670000      0.3199000 
1 1 1 14 11 30 o 3.6960  0.4979 0.7152000      0.9958000 
1 1 1 14 11 31 f 6.5220  0.2885 0.3645000      0.5771000 
1 1 1 14 11 32 o 9.0990  0.2396 -0.2799000     0.4792000 
1 1 1 14 11 33 o 8.3750  0.2703 0.9009000      0.5406000 
1 1 1 14 11 34 o 20.160  0.1605 -0.1210000     0.3210000 
1 1 1 14 11 35 o 18.190  0.1646 -0.3026000     0.3291000 
1 1 1 14 11 36 o 14.600  0.1662 0.3090000      0.3324000 
1 1 1 14 11 37 o 14.770  0.1653 -0.3054000     0.3305000 
1 1 1 14 11 38 o 2.6580  0.5744 -1.830000      1.149000  
1 1 1 14 11 39 o 19.170  0.1438 -0.1897000     0.2875000 
1 1 1 14 11 40 o 3.5060  0.5113 1.247000       1.023000  
1 1 1 14 11 41 o 12.930  0.1683 0.4504000      0.3366000 
1 1 1 14 11 42 o 6.2750  0.3096 0.5297000      0.6192000 
1 1 1 14 11 43 o 15.300  0.2164 -0.4947000     0.4329000 
1 1 1 14 11 44 o 15.020  0.1856 0.4418000      0.3712000 
1 1 1 14 11 45 o 6.5720  0.3425 0.9732000      0.6850000 
1 1 1 14 11 46 o 8.0210  0.2493 0.4232000      0.4986000 
1 1 1 14 11 47 o 1.7870  0.5438 -0.4691000     1.088000  
1 1 1 14 11 48 o 5.0670  0.2527 -0.2499000     0.5055000 
1 1 1 14 11 49 o 6.4070  0.2128 0.2448000      0.4255000 
1 1 1 14 11 50 o 3.8570  0.3420 -0.4303000     0.6839000 
1 1 1 14 11 51 o 4.6390  0.3022 0.9228000      0.6043000 
1 1 1 14 11 52 o 7.4990  0.1926 0.1156000      0.3853000 
1 1 1 14 11 53 o 7.4660  0.2171 0.2057000      0.4343000 
1 1 1 14 11 54 o 5.2920  0.2966 0.6080000      0.5931000 
1 1 1 14 11 55 o 3.4910  0.4305 1.227000       0.8611000 
1 1 1 14 11 56 o 4.5990  0.3379 -0.9320000     0.6758000 
1 1 1 14 11 57 o 11.380  0.2162 -0.1499000     0.4323000 
1 1 1 14 11 58 o 2.3770  0.6327 -0.3123000     1.265000  
1 1 1 14 11 59 o 5.8390  0.2911 0.5739000      0.5822000 
1 1 1 14 11 60 o 3.6840  0.4619 1.223000       0.9238000 
1 1 1 14 11 61 o 2.4570  0.6150 -0.6835000     1.230000  
1 1 1 14 11 62 o 2.1270  0.5970 -0.7345000     1.194000  
1 1 1 14 11 63 o 4.5270  0.4004 -0.9594000     0.8007000 
1 1 1 14 11 64 o 4.9720  0.3738 0.7681000      0.7476000 
1 1 1 14 11 65 o 2.6480  0.5979 0.6057000      1.196000  
1 1 1 14 12 0  o 15.000  0.1780 0.000000       0.000000  
1 1 1 14 12 1  o 21.800  0.1228 -0.1330000     0.2456000 
1 1 1 14 12 2  o 11.500  0.1415 -0.5080000     0.2830000 
1 1 1 14 12 3  o 16.290  0.1235 -0.3138000E-01 0.2471000 
1 1 1 14 12 4  o 2.2910  0.5063 -0.5796000E-01 1.013000  
1 1 1 14 12 5  o 9.8490  0.1537 -0.7607000E-01 0.3073000 
1 1 1 14 12 6  o 15.080  0.1272 0.7452000      0.2544000 
1 1 1 14 12 7  o 5.0600  0.2934 0.7763000E-01  0.5869000 
1 1 1 14 12 8  o 17.360  0.1571 0.6258000      0.3142000 
1 1 1 14 12 9  o 24.680  0.1944 -0.5893000     0.3889000 
1 1 1 14 12 10 o 19.530  0.1547 0.2919000      0.3095000 
1 1 1 14 12 11 o 26.940  0.1708 0.1000000      0.3415000 
1 1 1 14 12 12 o 6.2720  0.2898 -0.8074000E-02 0.5795000 
1 1 1 14 12 13 o 26.230  0.1632 -0.4900000     0.3263000 
1 1 1 14 12 14 o 7.7570  0.2684 0.2898000      0.5369000 
1 1 1 14 12 15 o 11.350  0.1886 0.5319000      0.3773000 
1 1 1 14 12 16 o 9.9510  0.1659 -0.5968000E-01 0.3318000 
1 1 1 14 12 17 o 14.240  0.1334 -0.1555000     0.2668000 
1 1 1 14 12 18 o 15.630  0.1284 -0.4444000     0.2569000 
1 1 1 14 12 19 o 4.5220  0.3237 0.4944000      0.6473000 
1 1 1 14 12 20 o 16.220  0.1314 -0.1577000E-01 0.2628000 
1 1 1 14 12 21 o 28.060  0.1331 0.3736000      0.2662000 
1 1 1 14 12 22 o 13.880  0.1240 0.2564000      0.2479000 
1 1 1 14 12 23 o 10.370  0.1594 -0.5051000     0.3188000 
1 1 1 14 12 24 o 9.3600  0.1787 0.3592000      0.3574000 
1 1 1 14 12 25 o 4.3730  0.4659 -0.7321000     0.9318000 
1 1 1 14 12 26 o 16.060  0.1604 -0.2274000     0.3208000 
1 1 1 14 12 27 o 23.690  0.1491 -0.3876000     0.2982000 
1 1 1 14 12 28 o 18.000  0.1485 0.1331000      0.2970000 
1 1 1 14 12 29 o 15.340  0.1571 0.6245000      0.3142000 
1 1 1 14 12 30 o 5.4090  0.3899 -0.5500000E-02 0.7797000 
1 1 1 14 12 31 o 11.120  0.2113 0.5013000      0.4226000 
1 1 1 14 12 32 o 4.0000  0.5875 -2.080000      1.175000  
1 1 1 14 12 33 o 4.7940  0.5727 2.443000       1.145000  
1 1 1 14 12 34 o 13.090  0.2336 0.2824000      0.4673000 
1 1 1 14 12 35 o 2.6680  0.6709 0.5436000      1.342000  
1 1 1 14 12 36 o 17.040  0.1817 0.5919000      0.3634000 
1 1 1 14 12 37 o 3.9380  0.6046 -0.4929000     1.209000  
1 1 1 14 12 38 o 12.320  0.2398 -0.4427000     0.4797000 
1 1 1 14 12 39 o 8.4840  0.2893 0.4198000      0.5786000 
1 1 1 14 12 40 o 5.1230  0.4615 0.1176000      0.9230000 
1 1 1 14 12 41 o 13.300  0.2059 -0.7972000E-01 0.4119000 
1 1 1 14 12 42 o 12.420  0.2142 0.5732000      0.4284000 
1 1 1 14 12 43 o 6.5390  0.3839 -1.398000      0.7678000 
1 1 1 14 12 44 o 6.2140  0.4161 1.259000       0.8322000 
1 1 1 14 12 45 o 5.5000  0.3700 -0.5085000E-01 0.7399000 
1 1 1 14 12 46 o 8.9040  0.2221 0.8523000      0.4443000 
1 1 1 14 12 47 o 3.4460  0.5056 0.2238000      1.011000  
1 1 1 14 12 48 o 4.7430  0.4142 1.182000       0.8283000 
1 1 1 14 12 49 o 3.0890  0.5071 -2.416000      1.014000  
1 1 1 14 12 50 o 6.2280  0.1991 -0.1360000     0.3982000 
1 1 1 14 12 51 o 2.4760  0.4815 -0.4885000     0.9630000 
1 1 1 14 12 52 o 1.4580  0.4530 0.2420000      0.9060000 
1 1 1 14 12 53 o 1.8130  0.4919 0.3250000      0.9838000 
1 1 1 14 12 54 o 3.0660  0.4442 -0.4259000     0.8883000 
1 1 1 14 12 55 o 6.6500  0.2196 0.1675000      0.4393000 
1 1 1 14 12 56 o 5.9570  0.2426 -0.2411000     0.4852000 
1 1 1 14 12 57 o 8.6210  0.1895 0.3928000E-01  0.3789000 
1 1 1 14 12 58 o 1.4600  0.4656 -0.1379000     0.9313000 
1 1 1 14 12 59 o 5.3440  0.2883 -0.1124000     0.5766000 
1 1 1 14 12 60 f 2.7380  0.6340 -0.6941000     1.268000  
1 1 1 14 12 61 o 1.8170  0.5651 0.5102000E-01  1.130000  
1 1 1 14 12 62 o 5.9610  0.2957 0.8505000E-01  0.5914000 
1 1 1 14 12 63 o 2.9670  0.6171 0.3410000      1.234000  
1 1 1 14 12 64 o 3.6380  0.5822 0.3911000      1.164000  
1 1 1 14 12 65 o 5.5950  0.3467 1.421000       0.6935000 
1 1 1 14 13 0  o 1.5710  0.8658 0.000000       0.000000  
1 1 1 14 13 1  o 11.130  0.1511 -0.4473000     0.3021000 
1 1 1 14 13 2  o 10.510  0.1561 -0.1873000     0.3122000 
1 1 1 14 13 3  o 13.720  0.1360 0.1193000      0.2720000 
1 1 1 14 13 4  o 18.830  0.1264 -0.1412000     0.2529000 
1 1 1 14 13 5  o 30.270  0.1401 -0.6116000E-01 0.2803000 
1 1 1 14 13 6  o 8.5810  0.1857 0.2128000      0.3714000 
1 1 1 14 13 7  f 12.960  0.1594 0.8638000E-01  0.3188000 
1 1 1 14 13 8  o 14.620  0.1515 -0.3742000     0.3030000 
1 1 1 14 13 9  o 7.9230  0.2157 -0.2801000     0.4313000 
1 1 1 14 13 10 o 25.190  0.1610 0.4198000E-01  0.3220000 
1 1 1 14 13 11 o 14.590  0.1640 0.8436000      0.3280000 
1 1 1 14 13 12 o 3.2500  0.5453 0.1069000      1.091000  
1 1 1 14 13 13 o 1.7040  0.5192 -0.7321000     1.038000  
1 1 1 14 13 14 o 11.780  0.1951 1.129000       0.3902000 
1 1 1 14 13 15 o 9.5430  0.2411 -1.444000      0.4823000 
1 1 1 14 13 16 o 10.930  0.2145 0.7004000      0.4290000 
1 1 1 14 13 17 o 22.140  0.1291 -0.4330000E-02 0.2582000 
1 1 1 14 13 18 o 35.370  0.1510 -0.1256000     0.3019000 
1 1 1 14 13 19 o 23.220  0.1291 -0.3513000E-01 0.2581000 
1 1 1 14 13 20 o 5.4830  0.2726 0.2743000      0.5451000 
1 1 1 14 13 21 o 18.580  0.1270 -0.1250000     0.2540000 
1 1 1 14 13 22 o 10.220  0.1653 0.1475000      0.3306000 
1 1 1 14 13 23 o 9.3910  0.1655 -0.5763000E-01 0.3311000 
1 1 1 14 13 24 o 3.7220  0.3730 -0.3183000     0.7459000 
1 1 1 14 13 25 o 22.090  0.1392 0.4028000      0.2785000 
1 1 1 14 13 26 o 2.7070  0.4603 -1.896000      0.9205000 
1 1 1 14 13 27 o 4.0780  0.4730 0.2612000      0.9460000 
1 1 1 14 13 28 o 10.850  0.2339 -0.2778000     0.4678000 
1 1 1 14 13 29 o 10.630  0.2825 -0.5290000E-01 0.5650000 
1 1 1 14 13 30 o 16.680  0.2145 -0.3400000     0.4289000 
1 1 1 14 13 31 o 2.1560  0.6378 0.2097000      1.276000  
1 1 1 14 13 32 o 8.7580  0.3219 -0.7383000     0.6438000 
1 1 1 14 13 33 o 4.3880  0.6216 -0.1022000     1.243000  
1 1 1 14 13 34 o 9.2170  0.2744 -0.1280000     0.5489000 
1 1 1 14 13 35 o 18.350  0.1781 -0.6378000     0.3561000 
1 1 1 14 13 36 o 8.0700  0.3077 0.9579000      0.6154000 
1 1 1 14 13 37 o 7.8330  0.3144 0.6224000      0.6288000 
1 1 1 14 13 38 o 10.960  0.2379 0.1700000E-01  0.4758000 
1 1 1 14 13 39 o 7.5400  0.3241 1.461000       0.6482000 
1 1 1 14 13 40 o 2.9260  0.6694 -0.1162000     1.339000  
1 1 1 14 13 41 o 3.5400  0.6365 0.1734000E-01  1.273000  
1 1 1 14 13 42 o 9.9510  0.2732 0.9239000      0.5463000 
1 1 1 14 13 43 o 2.6650  0.6877 -0.1164000     1.375000  
1 1 1 14 13 44 o 9.7850  0.2704 0.1118000      0.5408000 
1 1 1 14 13 45 o 7.7340  0.3314 0.7276000      0.6628000 
1 1 1 14 13 46 o 5.1300  0.5339 0.9523000      1.068000  
1 1 1 14 13 47 o 4.0230  0.6569 -0.4417000     1.314000  
1 1 1 14 13 48 o 7.2410  0.3471 -0.6173000     0.6942000 
1 1 1 14 13 49 o 4.4070  0.4253 -0.2860000     0.8506000 
1 1 1 14 13 50 o 2.4100  0.6331 -1.019000      1.266000  
1 1 1 14 13 51 o 5.1210  0.4897 0.4183000      0.9794000 
1 1 1 14 13 52 o 5.1470  0.2188 -0.2438000     0.4376000 
1 1 1 14 13 53 o 2.5660  0.4519 0.3598000      0.9038000 
1 1 1 14 13 54 o 7.1840  0.1850 0.1698000      0.3700000 
1 1 1 14 13 55 o 4.4990  0.2883 -0.4309000     0.5765000 
1 1 1 14 13 56 o 1.8780  0.4834 -0.8589000     0.9667000 
1 1 1 14 13 57 o 4.1240  0.3500 -0.8412000     0.7001000 
1 1 1 14 13 58 o 1.7620  0.4905 0.7617000      0.9810000 
1 1 1 14 13 59 o 5.3350  0.2812 -0.2487000     0.5625000 
1 1 1 14 13 60 o 5.3740  0.2881 -0.7632000     0.5761000 
1 1 1 14 13 61 o 2.3050  0.5318 -1.170000      1.064000  
1 1 1 14 13 62 o 3.9330  0.4169 -0.5635000     0.8337000 
1 1 1 14 13 63 o 4.9150  0.5177 -1.391000      1.035000  
1 1 1 14 13 64 o 3.3020  0.7123 0.3683000E-01  1.425000  
1 1 1 14 14 0  o 3.0040  1.1180 0.000000       0.000000  
1 1 1 14 14 1  o 0.9056  0.6359 0.000000       0.000000  
1 1 1 14 14 2  o 12.980  0.2121 0.000000       0.000000  
1 1 1 14 14 3  o 11.330  0.2303 0.000000       0.000000  
1 1 1 14 14 4  o 11.710  0.2289 0.000000       0.000000  
1 1 1 14 14 5  o 9.6000  0.2965 0.000000       0.000000  
1 1 1 14 14 6  o 39.590  0.2705 0.000000       0.000000  
1 1 1 14 14 7  f 11.560  0.2678 0.000000       0.000000  
1 1 1 14 14 8  o 0.8815  0.6288 0.000000       0.000000  
1 1 1 14 14 9  o 6.4960  0.4011 0.000000       0.000000  
1 1 1 14 14 10 o 30.030  0.2081 0.000000       0.000000  
1 1 1 14 14 11 f 12.340  0.2462 0.000000       0.000000  
1 1 1 14 14 12 o 18.290  0.1949 0.000000       0.000000  
1 1 1 14 14 13 o 8.2110  0.3503 0.000000       0.000000  
1 1 1 14 14 14 o 5.2050  0.4975 0.000000       0.000000  
1 1 1 14 14 15 o 6.6710  0.3205 0.000000       0.000000  
1 1 1 14 14 16 o 12.910  0.2407 0.000000       0.000000  
1 1 1 14 14 17 o 1.7830  1.0150 0.000000       0.000000  
1 1 1 14 14 18 o 5.0030  0.4080 0.000000       0.000000  
1 1 1 14 14 19 o 2.2340  0.8863 0.000000       0.000000  
1 1 1 14 14 20 o 8.9300  0.2299 0.000000       0.000000  
1 1 1 14 14 21 o 1.7060  0.8694 0.000000       0.000000  
1 1 1 14 14 22 o 37.550  0.2379 0.000000       0.000000  
1 1 1 14 14 23 o 13.330  0.2389 0.000000       0.000000  
1 1 1 14 14 24 o 5.4030  0.4398 0.000000       0.000000  
1 1 1 14 14 25 o 17.050  0.2018 0.000000       0.000000  
1 1 1 14 14 26 o 5.7600  0.3902 0.000000       0.000000  
1 1 1 14 14 27 o 7.7240  0.4394 0.000000       0.000000  
1 1 1 14 14 28 o 8.5840  0.4841 0.000000       0.000000  
1 1 1 14 14 29 o 3.6070  1.2050 0.000000       0.000000  
1 1 1 14 14 30 o 2.1380  1.1460 0.000000       0.000000  
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1 1 1 15 0  28 o 2.3340  1.0510 0.000000       0.000000  
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1 1 1 15 1  1  o 8.2530  0.1484 0.6187000      0.2968000 
1 1 1 15 1  2  o 14.140  0.1160 0.1513000E-01  0.2321000 
1 1 1 15 1  3  o 15.550  0.1148 -0.1086000     0.2296000 
1 1 1 15 1  4  o 10.180  0.1316 -0.2971000     0.2632000 
1 1 1 15 1  5  o 8.1800  0.1643 -0.5014000     0.3286000 
1 1 1 15 1  6  o 13.430  0.1475 0.2155000E-01  0.2950000 
1 1 1 15 1  7  o 2.6800  0.4420 -0.6151000     0.8840000 
1 1 1 15 1  8  o 15.650  0.1344 -0.1396000     0.2688000 
1 1 1 15 1  9  o 5.2610  0.3549 ?              ?         
1 1 1 15 1  10 o 15.890  0.1379 0.7357000      0.2758000 
1 1 1 15 1  11 f 20.070  0.1539 -0.3811000     0.3078000 
1 1 1 15 1  12 o 15.230  0.2090 -0.1789000     0.4180000 
1 1 1 15 1  13 o 18.640  0.2076 -0.9459000E-01 0.4152000 
1 1 1 15 1  14 o 12.590  0.1881 -0.5707000     0.3763000 
1 1 1 15 1  15 o 10.460  0.2005 1.029000       0.4010000 
1 1 1 15 1  16 f 9.0900  0.3042 0.4101000      0.6083000 
1 1 1 15 1  17 o 9.6170  0.2973 -0.5251000     0.5945000 
1 1 1 15 1  18 o 9.4220  0.3065 0.7501000      0.6130000 
1 1 1 15 1  19 o 15.210  0.1832 0.2103000E-01  0.3663000 
1 1 1 15 1  20 o 13.060  0.1937 0.3886000E-01  0.3874000 
1 1 1 15 1  21 o 18.160  0.1807 0.1212000      0.3613000 
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1 1 1 15 1  23 o 20.450  0.1857 -0.6460000     0.3714000 
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1 1 1 15 1  26 o 9.4140  0.2171 0.3063000E-01  0.4342000 
1 1 1 15 1  27 o 11.810  0.1909 -0.4730000     0.3819000 
1 1 1 15 1  28 o 19.550  0.1791 0.3621000E-01  0.3582000 
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1 1 1 15 1  30 o 4.8000  0.5165 -1.542000      1.033000  
1 1 1 15 1  31 o 27.960  0.1882 -0.2421000     0.3764000 
1 1 1 15 1  32 o 10.610  0.2468 0.2068000      0.4936000 
1 1 1 15 1  33 o 15.500  0.2013 0.1775000      0.4026000 
1 1 1 15 1  34 o 10.970  0.2511 -0.4352000     0.5022000 
1 1 1 15 1  35 o 7.6650  0.2924 0.5452000      0.5848000 
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1 1 1 15 1  37 f 2.3730  0.6222 0.1301000      1.244000  
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1 1 1 15 1  44 o 2.9350  0.5332 2.367000       1.066000  
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1 1 1 15 1  46 o 5.2200  0.3611 0.1335000      0.7223000 
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1 1 1 15 1  49 o 8.6720  0.2223 0.4755000      0.4446000 
1 1 1 15 1  50 o 10.890  0.1896 0.1652000      0.3792000 
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1 1 1 15 1  56 o 8.7440  0.2515 -0.4677000     0.5030000 
1 1 1 15 1  57 o 5.8800  0.3498 -0.3967000     0.6996000 
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1 1 1 15 1  59 o 5.0100  0.3789 0.3852000      0.7578000 
1 1 1 15 1  60 o 5.9460  0.3480 0.7408000      0.6960000 
1 1 1 15 1  61 o 6.3910  0.3390 0.1467000      0.6780000 
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1 1 1 15 2  4  o 14.190  0.1268 -0.9938000E-01 0.2536000 
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1 1 1 15 2  11 o 6.2250  0.3284 0.2879000      0.6568000 
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1 1 1 15 2  13 o 22.050  0.2128 0.1150000      0.4256000 
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1 1 1 15 2  15 o 9.9030  0.2079 -0.5331000     0.4159000 
1 1 1 15 2  16 o 14.840  0.2130 -0.5107000     0.4261000 
1 1 1 15 2  17 o 22.000  0.2141 -0.1111000     0.4281000 
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1 1 1 15 2  23 o 3.7680  0.5153 1.205000       1.031000  
1 1 1 15 2  24 o 24.750  0.1743 0.7241000E-01  0.3486000 
1 1 1 15 2  25 o 1.5930  0.5049 0.4159000      1.010000  
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1 1 1 15 2  28 o 8.4940  0.2348 0.4063000      0.4696000 
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1 1 1 15 2  30 o 4.9080  0.3972 -0.2672000     0.7945000 
1 1 1 15 2  31 o 20.550  0.1583 0.3462000      0.3167000 
1 1 1 15 2  32 o 13.450  0.1846 0.2741000      0.3692000 
1 1 1 15 2  33 o 4.0560  0.5282 0.9496000      1.056000  
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1 1 1 15 2  35 o 4.0970  0.5262 -3.176000      1.052000  
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1 1 1 15 2  38 o 10.210  0.2786 -0.7488000     0.5573000 
1 1 1 15 2  39 o 2.8520  0.6753 -1.135000      1.351000  
1 1 1 15 2  40 o 14.640  0.2151 0.7430000      0.4303000 
1 1 1 15 2  41 o 9.3760  0.2473 0.7617000E-02  0.4945000 
1 1 1 15 2  42 o 19.000  0.1773 0.3464000      0.3546000 
1 1 1 15 2  43 o 5.4560  0.3661 0.6337000E-01  0.7322000 
1 1 1 15 2  44 o 4.9930  0.3959 0.5769000E-01  0.7918000 
1 1 1 15 2  45 o 9.5600  0.2224 -0.1578000     0.4448000 
1 1 1 15 2  46 o 4.5180  0.4238 -0.7424000     0.8475000 
1 1 1 15 2  47 o 3.8730  0.5269 -1.846000      1.054000  
1 1 1 15 2  48 o 10.500  0.2019 0.3289000      0.4038000 
1 1 1 15 2  49 o 4.7970  0.3627 0.5742000      0.7254000 
1 1 1 15 2  50 o 3.7380  0.4974 0.3311000      0.9949000 
1 1 1 15 2  51 o 5.1990  0.3440 -0.8503000     0.6879000 
1 1 1 15 2  52 o 2.2850  0.5534 -1.242000      1.107000  
1 1 1 15 2  53 o 6.8410  0.3474 -0.4583000     0.6949000 
1 1 1 15 2  54 o 4.0170  0.5066 -1.576000      1.013000  
1 1 1 15 2  55 o 10.650  0.1890 0.1400000      0.3781000 
1 1 1 15 2  56 o 3.4130  0.5750 0.1806000E-02  1.150000  
1 1 1 15 2  57 o 5.8270  0.3185 -0.8633000     0.6370000 
1 1 1 15 2  58 o 2.8180  0.5479 -1.471000      1.096000  
1 1 1 15 2  59 o 10.610  0.1991 -0.7944000E-01 0.3982000 
1 1 1 15 2  60 o 4.4470  0.4252 -0.1022000     0.8505000 
1 1 1 15 2  61 o 2.2710  0.5879 1.264000       1.176000  
1 1 1 15 2  62 o 7.1700  0.2843 0.2614000      0.5686000 
1 1 1 15 2  63 o 6.7770  0.2889 0.2726000      0.5778000 
1 1 1 15 2  64 o 5.5460  0.4828 1.265000       0.9657000 
1 1 1 15 2  65 f 2.0770  0.5571 1.047000       1.114000  
1 1 1 15 2  66 o 5.3580  0.3931 -0.6589000     0.7862000 
1 1 1 15 2  67 o 7.3370  0.3094 0.8049000      0.6189000 
1 1 1 15 2  68 o 4.1470  0.5131 0.3429000      1.026000  
1 1 1 15 3  0  o 14.650  0.1653 0.000000       0.000000  
1 1 1 15 3  1  o 9.2890  0.1491 0.4137000E-02  0.2983000 
1 1 1 15 3  2  o 1.8960  0.4773 0.2568000      0.9547000 
1 1 1 15 3  3  o 23.590  0.1485 -0.1005000     0.2970000 
1 1 1 15 3  4  o 7.6600  0.1706 0.2984000      0.3412000 
1 1 1 15 3  5  o 7.3080  0.1932 0.1072000      0.3864000 
1 1 1 15 3  6  o 11.940  0.1331 0.3239000E-01  0.2661000 
1 1 1 15 3  7  o 18.580  0.1244 -0.1451000     0.2489000 
1 1 1 15 3  8  o 20.970  0.1345 0.2837000      0.2690000 
1 1 1 15 3  9  o 12.830  0.1553 0.2283000      0.3105000 
1 1 1 15 3  10 o 3.9750  0.3816 0.2642000      0.7632000 
1 1 1 15 3  11 o 21.740  0.1526 0.1731000      0.3053000 
1 1 1 15 3  12 o 15.900  0.2050 0.5577000E-01  0.4101000 
1 1 1 15 3  13 o 21.600  0.1724 0.1294000      0.3447000 
1 1 1 15 3  14 o 17.720  0.2449 ?              ?         
1 1 1 15 3  15 o 11.030  0.1966 0.2535000      0.3933000 
1 1 1 15 3  16 o 11.910  0.2313 -0.4858000     0.4625000 
1 1 1 15 3  17 o 22.410  0.2150 0.2726000      0.4300000 
1 1 1 15 3  18 o 7.9780  0.2356 -0.5450000E-01 0.4712000 
1 1 1 15 3  19 o 11.830  0.1850 0.4370000      0.3699000 
1 1 1 15 3  20 o 23.580  0.1677 0.5584000      0.3353000 
1 1 1 15 3  21 o 8.7490  0.2570 -1.023000      0.5140000 
1 1 1 15 3  22 o 8.7330  0.2572 0.1182000      0.5145000 
1 1 1 15 3  23 o 15.700  0.1770 -0.4683000     0.3540000 
1 1 1 15 3  24 o 13.820  0.1893 0.2151000      0.3787000 
1 1 1 15 3  25 o 14.440  0.1903 -0.9367000E-01 0.3807000 
1 1 1 15 3  26 o 21.510  0.1537 -0.4251000     0.3073000 
1 1 1 15 3  27 o 11.540  0.1889 -0.3867000     0.3778000 
1 1 1 15 3  28 o 16.220  0.1616 -0.2892000E-01 0.3231000 
1 1 1 15 3  29 o 4.0820  0.4893 0.7686000      0.9785000 
1 1 1 15 3  30 o 1.6450  0.5267 -0.3280000E-01 1.053000  
1 1 1 15 3  31 o 10.710  0.2078 -0.8173000E-01 0.4156000 
1 1 1 15 3  32 o 15.370  0.1720 -0.4930000E-01 0.3440000 
1 1 1 15 3  33 o 20.410  0.1625 0.2437000      0.3250000 
1 1 1 15 3  34 o 17.530  0.1678 -0.5169000E-01 0.3356000 
1 1 1 15 3  35 o 16.260  0.1739 -0.8798000E-01 0.3477000 
1 1 1 15 3  36 o 14.460  0.1752 -0.1367000     0.3504000 
1 1 1 15 3  37 o 25.150  0.1601 -0.2263000     0.3201000 
1 1 1 15 3  38 o 10.150  0.2392 -0.7358000     0.4784000 
1 1 1 15 3  39 o 3.5980  0.6317 1.663000       1.263000  
1 1 1 15 3  40 o 10.670  0.2521 -0.4057000     0.5041000 
1 1 1 15 3  41 o 2.4790  0.6870 0.4659000E-01  1.374000  
1 1 1 15 3  42 o 15.880  0.1973 -0.1112000     0.3945000 
1 1 1 15 3  43 o 13.840  0.1915 -0.2936000     0.3831000 
1 1 1 15 3  44 o 1.9810  0.5786 -0.4535000     1.157000  
1 1 1 15 3  45 o 5.6670  0.3347 -0.3098000     0.6694000 
1 1 1 15 3  46 o 13.700  0.1749 -0.6361000     0.3498000 
1 1 1 15 3  47 o 6.2930  0.2838 0.5576000      0.5675000 
1 1 1 15 3  48 o 10.040  0.2131 -0.5688000     0.4262000 
1 1 1 15 3  49 o 2.8830  0.5539 -1.385000      1.108000  
1 1 1 15 3  50 o 3.8900  0.5626 -1.489000      1.125000  
1 1 1 15 3  51 o 3.8200  0.5303 0.9053000E-01  1.061000  
1 1 1 15 3  52 o 15.340  0.1783 0.2770000      0.3566000 
1 1 1 15 3  53 o 5.5810  0.3300 -0.9561000E-02 0.6601000 
1 1 1 15 3  54 o 5.6400  0.3239 -0.5912000E-01 0.6477000 
1 1 1 15 3  55 o 6.7080  0.2669 -0.2190000     0.5337000 
1 1 1 15 3  56 o 6.2150  0.2836 0.2868000      0.5673000 
1 1 1 15 3  57 o 7.6650  0.2639 -0.5783000     0.5277000 
1 1 1 15 3  58 o 4.8240  0.3881 0.7722000      0.7762000 
1 1 1 15 3  59 o 6.2430  0.3131 0.7015000      0.6262000 
1 1 1 15 3  60 o 14.270  0.1822 -0.3770000     0.3644000 
1 1 1 15 3  61 o 12.640  0.1931 0.4782000E-01  0.3863000 
1 1 1 15 3  62 o 10.530  0.2045 -0.4096000     0.4089000 
1 1 1 15 3  63 o 3.2730  0.5590 -0.7041000     1.118000  
1 1 1 15 3  64 f 2.8310  0.6030 0.5188000      1.206000  
1 1 1 15 3  65 o 4.5480  0.4345 -0.5055000     0.8690000 
1 1 1 15 3  66 o 1.7480  0.5448 0.1172000      1.090000  
1 1 1 15 3  67 o 3.1530  0.6504 0.1763000      1.301000  
1 1 1 15 3  68 o 8.8480  0.2685 0.9908000      0.5370000 
1 1 1 15 4  0  o 2.6320  0.7517 0.000000       0.000000  
1 1 1 15 4  1  o 21.600  0.1362 -0.2449000     0.2723000 
1 1 1 15 4  2  o 14.640  0.1432 -0.1907000     0.2863000 
1 1 1 15 4  3  o 7.6540  0.1894 -0.2449000     0.3787000 
1 1 1 15 4  4  o 17.980  0.1239 0.5661000E-01  0.2479000 
1 1 1 15 4  5  o 9.0100  0.1547 -0.7205000E-01 0.3095000 
1 1 1 15 4  6  o 8.9280  0.1645 0.1211000      0.3289000 
1 1 1 15 4  7  o 8.5380  0.1686 -0.8392000E-01 0.3372000 
1 1 1 15 4  8  o 18.410  0.1451 -0.8560000E-01 0.2902000 
1 1 1 15 4  9  o 7.9210  0.1995 -0.1822000     0.3989000 
1 1 1 15 4  10 o 15.020  0.1496 0.5271000      0.2992000 
1 1 1 15 4  11 o 15.730  0.1495 0.2096000      0.2989000 
1 1 1 15 4  12 o 6.6500  0.2428 0.3303000      0.4855000 
1 1 1 15 4  13 o 11.500  0.1715 -0.7893000E-01 0.3430000 
1 1 1 15 4  14 o 7.6870  0.2409 0.2897000      0.4818000 
1 1 1 15 4  15 o 15.210  0.2120 -0.2531000     0.4239000 
1 1 1 15 4  16 o 10.370  0.2466 -0.6505000     0.4932000 
1 1 1 15 4  17 o 3.3590  0.5922 0.4432000E-01  1.184000  
1 1 1 15 4  18 f 19.590  0.1632 -0.9336000E-01 0.3264000 
1 1 1 15 4  19 o 5.9840  0.3404 -0.4559000     0.6808000 
1 1 1 15 4  20 o 13.570  0.1980 0.5722000E-01  0.3961000 
1 1 1 15 4  21 o 12.090  0.2143 0.2721000      0.4286000 
1 1 1 15 4  22 o 7.8480  0.2935 0.4902000E-01  0.5870000 
1 1 1 15 4  23 o 9.8110  0.2332 -0.8887000E-01 0.4665000 
1 1 1 15 4  24 o 4.5710  0.4629 0.1536000      0.9257000 
1 1 1 15 4  25 o 24.430  0.1789 -0.2930000     0.3578000 
1 1 1 15 4  26 o 23.840  0.1555 0.2513000      0.3109000 
1 1 1 15 4  27 o 9.4250  0.2182 -1.215000      0.4365000 
1 1 1 15 4  28 o 16.500  0.1743 -0.5342000     0.3486000 
1 1 1 15 4  29 o 12.680  0.1814 0.6069000E-01  0.3627000 
1 1 1 15 4  30 o 4.9920  0.3923 -1.163000      0.7847000 
1 1 1 15 4  31 o 8.4350  0.2481 0.6585000      0.4963000 
1 1 1 15 4  32 o 6.9390  0.3046 0.3986000      0.6092000 
1 1 1 15 4  33 o 11.280  0.2085 0.2275000      0.4170000 
1 1 1 15 4  34 o 13.480  0.1876 0.3908000      0.3751000 
1 1 1 15 4  35 o 6.1060  0.3533 1.072000       0.7065000 
1 1 1 15 4  36 o 19.030  0.1604 -0.5451000     0.3207000 
1 1 1 15 4  37 o 13.990  0.1944 0.9092000E-01  0.3889000 
1 1 1 15 4  38 o 9.7250  0.2598 0.3506000      0.5196000 
1 1 1 15 4  39 o 9.5610  0.2298 -0.2315000     0.4596000 
1 1 1 15 4  40 o 1.9880  0.5819 -1.237000      1.164000  
1 1 1 15 4  41 o 25.710  0.1858 0.2775000      0.3716000 
1 1 1 15 4  42 o 2.4960  0.6042 1.023000       1.208000  
1 1 1 15 4  43 o 8.7840  0.2665 0.1134000      0.5329000 
1 1 1 15 4  44 o 6.4020  0.3359 0.8348000      0.6717000 
1 1 1 15 4  45 o 9.5790  0.3291 0.8018000      0.6582000 
1 1 1 15 4  46 o 3.4620  0.6464 -0.4268000     1.293000  
1 1 1 15 4  47 o 2.7250  0.6444 -0.3053000     1.289000  
1 1 1 15 4  48 o 10.910  0.2124 -0.7603000     0.4248000 
1 1 1 15 4  49 o 8.3090  0.2711 -1.015000      0.5423000 
1 1 1 15 4  50 o 3.4860  0.5465 1.599000       1.093000  
1 1 1 15 4  51 o 2.1740  0.6169 0.3276000      1.234000  
1 1 1 15 4  52 o 2.4930  0.5659 -1.191000      1.132000  
1 1 1 15 4  53 o 7.4830  0.2420 0.1740000      0.4839000 
1 1 1 15 4  54 o 1.6450  0.5105 -0.1630000     1.021000  
1 1 1 15 4  55 o 5.7530  0.3011 0.2742000      0.6023000 
1 1 1 15 4  56 f 6.2500  0.2809 0.1365000      0.5617000 
1 1 1 15 4  57 o 4.5420  0.4085 -1.435000      0.8170000 
1 1 1 15 4  58 o 4.8910  0.4308 -0.8320000     0.8615000 
1 1 1 15 4  59 o 9.3040  0.2404 0.5837000E-01  0.4808000 
1 1 1 15 4  60 o 9.4110  0.2395 0.2151000      0.4791000 
1 1 1 15 4  61 o 1.8840  0.5511 -0.4852000     1.102000  
1 1 1 15 4  62 o 6.9410  0.2811 -0.9364000     0.5623000 
1 1 1 15 4  63 o 3.6220  0.5084 -1.385000      1.017000  
1 1 1 15 4  64 o 3.4920  0.5267 0.2472000      1.053000  
1 1 1 15 4  65 o 6.8350  0.2878 -0.5564000     0.5757000 
1 1 1 15 4  66 o 3.0090  0.5808 -0.3667000     1.162000  
1 1 1 15 4  67 o 1.8840  0.5481 0.5690000      1.096000  
1 1 1 15 5  0  o 8.8150  0.3040 0.000000       0.000000  
1 1 1 15 5  1  o 3.9550  0.3412 -0.9436000     0.6824000 
1 1 1 15 5  2  o 16.970  0.1509 -0.1031000     0.3018000 
1 1 1 15 5  3  f 9.4920  0.1596 0.4050000      0.3192000 
1 1 1 15 5  4  o 14.340  0.1333 0.3305000      0.2666000 
1 1 1 15 5  5  f 11.810  0.1545 -0.2294000     0.3091000 
1 1 1 15 5  6  o 12.930  0.1500 -0.8717000E-01 0.3000000 
1 1 1 15 5  7  o 8.3640  0.1876 0.2294000      0.3752000 
1 1 1 15 5  8  o 4.2580  0.3370 -0.9927000     0.6741000 
1 1 1 15 5  9  o 10.790  0.1655 -0.1162000     0.3310000 
1 1 1 15 5  10 o 13.520  0.1402 -0.1395000E-01 0.2804000 
1 1 1 15 5  11 o 1.9340  0.5286 0.1611000      1.057000  
1 1 1 15 5  12 o 10.680  0.2011 -0.5489000     0.4023000 
1 1 1 15 5  13 o 11.320  0.1992 -0.4894000     0.3983000 
1 1 1 15 5  14 o 10.990  0.1703 0.2403000      0.3406000 
1 1 1 15 5  15 o 21.190  0.2451 -0.3271000     0.4902000 
1 1 1 15 5  16 o 7.7690  0.3332 0.5262000      0.6664000 
1 1 1 15 5  17 o 2.8680  0.6081 -0.6318000     1.216000  
1 1 1 15 5  18 o 6.2670  0.4501 ?              ?         
1 1 1 15 5  19 o 9.8610  0.2327 -0.5776000     0.4654000 
1 1 1 15 5  20 o 13.230  0.2040 -0.2758000E-01 0.4080000 
1 1 1 15 5  21 o 14.800  0.1816 -0.8883000     0.3632000 
1 1 1 15 5  22 o 12.740  0.1758 -0.4637000     0.3515000 
1 1 1 15 5  23 o 21.340  0.1549 -0.2551000     0.3098000 
1 1 1 15 5  24 o 6.7390  0.2800 -0.5204000     0.5600000 
1 1 1 15 5  25 o 11.090  0.1947 0.5957000      0.3894000 
1 1 1 15 5  26 o 7.0740  0.3686 0.5937000      0.7371000 
1 1 1 15 5  27 o 16.460  0.1617 0.5066000      0.3233000 
1 1 1 15 5  28 o 5.1370  0.3778 0.4163000      0.7555000 
1 1 1 15 5  29 o 12.640  0.1829 -0.8265000     0.3657000 
1 1 1 15 5  30 o 7.3610  0.2726 -0.3813000     0.5451000 
1 1 1 15 5  31 o 9.6060  0.2255 0.3327000      0.4509000 
1 1 1 15 5  32 o 21.710  0.1502 -0.2588000E-01 0.3004000 
1 1 1 15 5  33 o 8.8460  0.2271 -0.8520000E-01 0.4542000 
1 1 1 15 5  34 o 6.9880  0.2772 0.6877000      0.5544000 
1 1 1 15 5  35 o 5.9650  0.3568 -1.859000      0.7135000 
1 1 1 15 5  36 o 7.8850  0.3351 -0.1453000     0.6703000 
1 1 1 15 5  37 o 16.870  0.1758 -0.2536000E-01 0.3516000 
1 1 1 15 5  38 o 2.6530  0.6092 -1.233000      1.218000  
1 1 1 15 5  39 o 16.300  0.1729 0.3480000      0.3458000 
1 1 1 15 5  40 o 6.0030  0.3882 1.027000       0.7764000 
1 1 1 15 5  41 f 12.120  0.2202 0.3131000      0.4404000 
1 1 1 15 5  42 o 11.120  0.2595 -0.4490000E-01 0.5190000 
1 1 1 15 5  43 o 7.5880  0.3217 0.4677000      0.6434000 
1 1 1 15 5  44 o 7.3260  0.2621 -1.168000      0.5242000 
1 1 1 15 5  45 o 8.0630  0.2468 0.1496000      0.4936000 
1 1 1 15 5  46 o 8.0440  0.2891 0.3904000      0.5783000 
1 1 1 15 5  47 o 13.760  0.1934 -0.3487000E-01 0.3869000 
1 1 1 15 5  48 o 13.250  0.1819 0.2429000      0.3638000 
1 1 1 15 5  49 o 11.320  0.2018 0.6643000      0.4036000 
1 1 1 15 5  50 o 7.7450  0.2704 -0.2079000     0.5407000 
1 1 1 15 5  51 o 2.3530  0.6508 0.6874000      1.302000  
1 1 1 15 5  52 o 15.680  0.1530 -0.7858000E-02 0.3060000 
1 1 1 15 5  53 o 7.5680  0.2501 0.2241000      0.5002000 
1 1 1 15 5  54 o 9.3990  0.2107 -0.5727000E-01 0.4214000 
1 1 1 15 5  55 o 2.2130  0.5684 -0.3417000     1.137000  
1 1 1 15 5  56 o 5.8930  0.2989 -0.2994000     0.5978000 
1 1 1 15 5  57 o 5.5130  0.3286 -0.6998000E-01 0.6572000 
1 1 1 15 5  58 o 8.0540  0.2583 0.1983000E-01  0.5165000 
1 1 1 15 5  59 o 8.2720  0.2834 -0.1173000     0.5668000 
1 1 1 15 5  60 o 10.950  0.1956 0.1691000      0.3913000 
1 1 1 15 5  61 o 4.7350  0.4190 0.2389000      0.8381000 
1 1 1 15 5  62 o 3.6910  0.5018 0.6290000E-01  1.004000  
1 1 1 15 5  63 o 2.5190  0.5538 -0.6973000     1.108000  
1 1 1 15 5  64 o 1.6530  0.5097 0.1928000      1.019000  
1 1 1 15 5  65 o 1.5270  0.5024 -0.1004000     1.005000  
1 1 1 15 5  66 o 2.2870  0.5926 1.001000       1.185000  
1 1 1 15 5  67 o 5.9780  0.3246 0.1469000      0.6492000 
1 1 1 15 6  0  o 3.5840  0.7391 0.000000       0.000000  
1 1 1 15 6  1  o 22.460  0.1560 0.2381000      0.3120000 
1 1 1 15 6  2  o 4.4460  0.3924 -0.7764000E-01 0.7847000 
1 1 1 15 6  3  o 8.7560  0.1826 0.3106000      0.3652000 
1 1 1 15 6  4  o 10.790  0.1610 -0.4159000E-01 0.3220000 
1 1 1 15 6  5  o 21.360  0.1474 0.9360000E-01  0.2949000 
1 1 1 15 6  6  o 5.9090  0.2471 0.8172000E-02  0.4942000 
1 1 1 15 6  7  o 5.8490  0.2484 -0.6950000E-01 0.4968000 
1 1 1 15 6  8  o 5.8030  0.2356 0.3248000      0.4712000 
1 1 1 15 6  9  o 15.600  0.1362 -0.3338000     0.2725000 
1 1 1 15 6  10 o 18.190  0.1464 -0.4170000     0.2927000 
1 1 1 15 6  11 o 16.770  0.1764 0.2156000E-01  0.3528000 
1 1 1 15 6  12 o 9.7790  0.2125 -0.9068000     0.4250000 
1 1 1 15 6  13 o 2.7960  0.4690 -1.884000      0.9380000 
1 1 1 15 6  14 f 14.240  0.2099 0.3993000      0.4198000 
1 1 1 15 6  15 o 17.270  0.1756 0.2936000      0.3513000 
1 1 1 15 6  16 f 15.810  0.1778 0.8699000      0.3556000 
1 1 1 15 6  17 o 4.2830  0.4923 -0.2608000     0.9846000 
1 1 1 15 6  18 o 20.630  0.1676 -0.9117000     0.3353000 
1 1 1 15 6  19 o 19.520  0.1671 -0.4595000     0.3342000 
1 1 1 15 6  20 o 7.2170  0.3109 -0.6144000     0.6218000 
1 1 1 15 6  21 o 8.5230  0.2164 -0.8067000     0.4328000 
1 1 1 15 6  22 o 6.9140  0.2621 -0.6877000     0.5242000 
1 1 1 15 6  23 o 3.0150  0.5365 -1.770000      1.073000  
1 1 1 15 6  24 o 8.3310  0.2377 -0.6768000E-01 0.4754000 
1 1 1 15 6  25 o 17.960  0.1502 0.3173000      0.3005000 
1 1 1 15 6  26 o 12.810  0.1726 0.1524000      0.3453000 
1 1 1 15 6  27 o 21.050  0.1360 -0.1384000     0.2719000 
1 1 1 15 6  28 o 12.430  0.1714 0.1772000E-01  0.3428000 
1 1 1 15 6  29 o 19.250  0.1480 -0.1018000     0.2961000 
1 1 1 15 6  30 o 15.000  0.1685 1.078000       0.3370000 
1 1 1 15 6  31 f 5.2940  0.3495 -0.5550000     0.6990000 
1 1 1 15 6  32 o 8.4950  0.2300 -0.3901000     0.4599000 
1 1 1 15 6  33 o 17.820  0.1535 -0.7343000E-03 0.3069000 
1 1 1 15 6  34 o 14.060  0.1657 0.2762000E-01  0.3315000 
1 1 1 15 6  35 o 5.3040  0.5220 0.7490000      1.044000  
1 1 1 15 6  36 o 7.2860  0.3167 -0.8478000     0.6334000 
1 1 1 15 6  37 o 4.4080  0.4447 -0.6004000     0.8894000 
1 1 1 15 6  38 o 12.190  0.2026 -0.4429000     0.4052000 
1 1 1 15 6  39 o 28.270  0.1734 -0.7143000E-01 0.3467000 
1 1 1 15 6  40 o 7.0850  0.2891 0.2198000      0.5783000 
1 1 1 15 6  41 o 12.950  0.2393 -0.5190000     0.4787000 
1 1 1 15 6  42 o 8.4190  0.3445 0.5370000      0.6891000 
1 1 1 15 6  43 o 25.040  0.1977 0.8679000      0.3954000 
1 1 1 15 6  44 o 11.670  0.2182 0.1382000      0.4364000 
1 1 1 15 6  45 o 1.8030  0.5360 0.6504000      1.072000  
1 1 1 15 6  46 o 7.0450  0.2590 0.4026000      0.5180000 
1 1 1 15 6  47 o 11.320  0.1999 0.6481000      0.3998000 
1 1 1 15 6  48 o 2.4300  0.5869 -0.6606000     1.174000  
1 1 1 15 6  49 o 6.0830  0.3354 1.020000       0.6708000 
1 1 1 15 6  50 o 3.6010  0.5391 0.7875000      1.078000  
1 1 1 15 6  51 o 2.4190  0.6068 0.3234000      1.214000  
1 1 1 15 6  52 o 8.6910  0.3073 -1.315000      0.6146000 
1 1 1 15 6  53 o 6.3550  0.3340 -0.4151000     0.6680000 
1 1 1 15 6  54 o 4.0940  0.5001 0.4123000      1.000000  
1 1 1 15 6  55 o 2.2520  0.5708 0.8354000      1.142000  
1 1 1 15 6  56 o 4.2510  0.4305 0.4453000      0.8609000 
1 1 1 15 6  57 o 6.8460  0.2952 -0.8393000     0.5903000 
1 1 1 15 6  58 o 4.5390  0.4288 -0.4671000     0.8575000 
1 1 1 15 6  59 o 10.940  0.1941 0.1463000      0.3881000 
1 1 1 15 6  60 o 5.4420  0.3139 -0.2106000     0.6278000 
1 1 1 15 6  61 o 5.1810  0.3266 0.7912000      0.6533000 
1 1 1 15 6  62 o 4.8240  0.3887 0.4413000      0.7774000 
1 1 1 15 6  63 o 4.1490  0.4527 -1.176000      0.9055000 
1 1 1 15 6  64 o 5.5190  0.3323 0.7749000E-01  0.6645000 
1 1 1 15 6  65 o 4.8800  0.3797 0.2515000      0.7593000 
1 1 1 15 6  66 o 3.7540  0.5340 -0.2159000     1.068000  
1 1 1 15 6  67 o 2.6440  0.6026 -1.285000      1.205000  
1 1 1 15 7  0  o 7.3460  0.3113 0.000000       0.000000  
1 1 1 15 7  1  f 7.6470  0.2298 -0.2147000     0.4595000 
1 1 1 15 7  2  o 18.680  0.1468 0.1292000      0.2937000 
1 1 1 15 7  3  o 12.760  0.1935 0.7406000E-01  0.3869000 
1 1 1 15 7  4  o 8.6290  0.1860 -0.3306000     0.3721000 
1 1 1 15 7  5  o 8.7390  0.1870 0.3659000      0.3741000 
1 1 1 15 7  6  o 2.6230  0.4830 1.192000       0.9660000 
1 1 1 15 7  7  o 6.4600  0.2399 0.1521000      0.4797000 
1 1 1 15 7  8  o 3.0250  0.5007 0.7606000      1.001000  
1 1 1 15 7  9  o 17.150  0.1454 0.3835000      0.2907000 
1 1 1 15 7  10 o 22.890  0.1848 0.1648000      0.3696000 
1 1 1 15 7  11 o 5.8230  0.3078 -0.3723000     0.6157000 
1 1 1 15 7  12 o 18.790  0.1833 0.2013000      0.3666000 
1 1 1 15 7  13 o 10.410  0.1984 0.3161000      0.3968000 
1 1 1 15 7  14 o 18.120  0.1740 0.2097000      0.3480000 
1 1 1 15 7  15 o 7.4910  0.2671 0.2163000      0.5342000 
1 1 1 15 7  16 o 6.5020  0.2426 -0.1812000E-02 0.4852000 
1 1 1 15 7  17 o 10.590  0.1624 -0.1347000     0.3248000 
1 1 1 15 7  18 o 20.670  0.1501 -0.1888000     0.3002000 
1 1 1 15 7  19 o 21.040  0.1514 -0.5627000     0.3028000 
1 1 1 15 7  20 o 23.900  0.1442 -0.2397000     0.2884000 
1 1 1 15 7  21 o 4.9270  0.3468 1.036000       0.6936000 
1 1 1 15 7  22 o 2.9340  0.5245 -1.381000      1.049000  
1 1 1 15 7  23 o 16.680  0.1492 -0.2991000     0.2985000 
1 1 1 15 7  24 o 7.1400  0.2536 -0.4269000     0.5072000 
1 1 1 15 7  25 o 8.5370  0.2246 -0.8270000     0.4493000 
1 1 1 15 7  26 o 30.690  0.1613 0.3862000      0.3226000 
1 1 1 15 7  27 o 2.3960  0.5583 1.327000       1.117000  
1 1 1 15 7  28 o 3.1340  0.5240 -0.1983000E-01 1.048000  
1 1 1 15 7  29 o 11.810  0.1688 0.3466000      0.3377000 
1 1 1 15 7  30 o 10.660  0.1796 -0.6476000     0.3593000 
1 1 1 15 7  31 o 17.960  0.1515 -0.2950000E-01 0.3030000 
1 1 1 15 7  32 o 7.4560  0.2542 0.2525000      0.5085000 
1 1 1 15 7  33 o 18.780  0.1938 -0.1339000     0.3875000 
1 1 1 15 7  34 o 5.1900  0.3962 -1.558000      0.7924000 
1 1 1 15 7  35 o 10.040  0.2338 0.8842000E-01  0.4675000 
1 1 1 15 7  36 o 3.2820  0.5953 -0.9066000     1.191000  
1 1 1 15 7  37 o 8.9590  0.2909 0.7301000      0.5817000 
1 1 1 15 7  38 o 17.420  0.1939 0.1355000      0.3879000 
1 1 1 15 7  39 o 9.0630  0.2520 -0.1144000     0.5040000 
1 1 1 15 7  40 o 10.870  0.2046 0.5093000      0.4092000 
1 1 1 15 7  41 o 10.530  0.2352 0.6426000E-01  0.4703000 
1 1 1 15 7  42 o 6.3010  0.3676 0.4938000E-01  0.7352000 
1 1 1 15 7  43 o 2.8600  0.6267 0.5795000      1.253000  
1 1 1 15 7  44 f 4.9000  0.4257 0.7322000      0.8514000 
1 1 1 15 7  45 o 14.570  0.2203 -1.160000      0.4405000 
1 1 1 15 7  46 o 4.3710  0.4693 -0.2322000     0.9387000 
1 1 1 15 7  47 o 13.050  0.1886 0.9623000E-01  0.3771000 
1 1 1 15 7  48 o 7.7670  0.2256 0.4062000E-01  0.4512000 
1 1 1 15 7  49 o 4.2970  0.3907 0.9242000      0.7814000 
1 1 1 15 7  50 o 3.2710  0.5003 -0.1183000     1.001000  
1 1 1 15 7  51 o 4.3710  0.3804 -0.3219000     0.7608000 
1 1 1 15 7  52 o 6.4320  0.2627 0.6604000      0.5254000 
1 1 1 15 7  53 o 4.5420  0.4566 1.089000       0.9132000 
1 1 1 15 7  54 o 6.4520  0.4161 -0.6766000     0.8322000 
1 1 1 15 7  55 o 10.840  0.2238 0.6513000      0.4477000 
1 1 1 15 7  56 o 1.9760  0.5983 -0.3473000E-01 1.197000  
1 1 1 15 7  57 o 7.0470  0.2539 0.1912000      0.5077000 
1 1 1 15 7  58 o 5.6550  0.3040 0.6681000      0.6080000 
1 1 1 15 7  59 o 5.4880  0.3197 -0.5294000     0.6394000 
1 1 1 15 7  60 o 3.4580  0.4962 -0.1554000     0.9924000 
1 1 1 15 7  61 o 5.1330  0.3783 -1.387000      0.7566000 
1 1 1 15 7  62 o 5.2150  0.3411 -0.1456000     0.6823000 
1 1 1 15 7  63 o 5.2270  0.3731 1.365000       0.7463000 
1 1 1 15 7  64 o 4.3010  0.4291 0.7882000E-01  0.8583000 
1 1 1 15 7  65 o 3.0170  0.6025 0.8399000      1.205000  
1 1 1 15 7  66 o 2.5700  0.5159 -2.324000      1.032000  
1 1 1 15 7  67 o 2.4220  0.7839 -0.8009000     1.568000  
1 1 1 15 8  0  o 1.2000  0.7669 0.000000       0.000000  
1 1 1 15 8  1  o 16.570  0.1542 0.1143000      0.3083000 
1 1 1 15 8  2  o 12.130  0.1676 -0.6688000     0.3352000 
1 1 1 15 8  3  o 14.480  0.1921 0.2160000      0.3843000 
1 1 1 15 8  4  o 10.400  0.1825 -0.7083000E-01 0.3651000 
1 1 1 15 8  5  o 6.7280  0.2805 0.8204000E-01  0.5610000 
1 1 1 15 8  6  o 6.6300  0.2297 0.6352000      0.4594000 
1 1 1 15 8  7  o 5.6550  0.2658 -0.1166000     0.5317000 
1 1 1 15 8  8  o 3.0860  0.4793 0.7328000      0.9586000 
1 1 1 15 8  9  o 13.040  0.1539 0.3900000      0.3078000 
1 1 1 15 8  10 o 13.930  0.1622 0.2184000      0.3244000 
1 1 1 15 8  11 f 7.5380  0.2249 0.5997000      0.4497000 
1 1 1 15 8  12 o 16.890  0.1652 0.1644000E-01  0.3303000 
1 1 1 15 8  13 o 17.550  0.1674 -0.1540000     0.3348000 
1 1 1 15 8  14 o 10.520  0.2046 -0.4694000     0.4091000 
1 1 1 15 8  15 o 11.740  0.1525 -0.7955000E-01 0.3049000 
1 1 1 15 8  16 o 16.760  0.1532 -0.4187000     0.3065000 
1 1 1 15 8  17 o 9.6050  0.2009 0.4480000      0.4017000 
1 1 1 15 8  18 o 17.980  0.1541 0.2095000      0.3083000 
1 1 1 15 8  19 o 8.6450  0.2084 0.2486000      0.4167000 
1 1 1 15 8  20 o 10.980  0.1755 -0.5106000     0.3509000 
1 1 1 15 8  21 o 8.9690  0.2065 -0.2487000     0.4131000 
1 1 1 15 8  22 o 11.690  0.1758 -0.1732000     0.3516000 
1 1 1 15 8  23 o 13.720  0.1613 -0.7139000     0.3225000 
1 1 1 15 8  24 o 12.620  0.1707 -0.8243000E-01 0.3414000 
1 1 1 15 8  25 o 12.550  0.1731 -0.2342000E-01 0.3462000 
1 1 1 15 8  26 o 9.2900  0.2155 -0.1413000     0.4309000 
1 1 1 15 8  27 o 2.6790  0.5830 -1.082000      1.166000  
1 1 1 15 8  28 o 29.400  0.1467 0.2711000E-01  0.2934000 
1 1 1 15 8  29 o 15.050  0.1492 -0.5183000E-01 0.2984000 
1 1 1 15 8  30 o 8.6150  0.2126 -0.1488000     0.4251000 
1 1 1 15 8  31 o 12.030  0.1875 -0.2573000     0.3749000 
1 1 1 15 8  32 o 7.5240  0.3402 0.4186000      0.6804000 
1 1 1 15 8  33 o 13.290  0.2115 0.2257000E-01  0.4230000 
1 1 1 15 8  34 o 22.420  0.1911 -0.1926000     0.3822000 
1 1 1 15 8  35 o 14.320  0.1816 0.3864000      0.3631000 
1 1 1 15 8  36 o 9.7620  0.2270 0.6856000      0.4540000 
1 1 1 15 8  37 o 6.1860  0.3312 -0.7361000E-01 0.6624000 
1 1 1 15 8  38 o 8.2180  0.2406 -0.1909000     0.4812000 
1 1 1 15 8  39 o 4.2890  0.4479 -0.4922000     0.8957000 
1 1 1 15 8  40 o 6.9640  0.2887 0.4767000      0.5774000 
1 1 1 15 8  41 o 6.7210  0.3300 -1.647000      0.6599000 
1 1 1 15 8  42 o 6.8420  0.4057 1.440000       0.8114000 
1 1 1 15 8  43 o 7.0810  0.3808 0.5475000      0.7616000 
1 1 1 15 8  44 o 9.9110  0.2647 0.5210000      0.5294000 
1 1 1 15 8  45 o 9.7050  0.2849 -0.5724000     0.5697000 
1 1 1 15 8  46 o 7.1640  0.3610 -0.1623000E-01 0.7220000 
1 1 1 15 8  47 o 8.9470  0.2477 -1.117000      0.4953000 
1 1 1 15 8  48 o 2.7120  0.5915 -0.4260000     1.183000  
1 1 1 15 8  49 o 2.9970  0.5811 -0.4642000     1.162000  
1 1 1 15 8  50 o 2.7680  0.5310 2.543000       1.062000  
1 1 1 15 8  51 o 13.620  0.1813 0.3915000      0.3627000 
1 1 1 15 8  52 o 5.9060  0.3513 -0.6399000     0.7025000 
1 1 1 15 8  53 o 10.200  0.2162 0.4846000      0.4323000 
1 1 1 15 8  54 o 2.0000  0.5439 -0.3898000     1.088000  
1 1 1 15 8  55 o 7.1850  0.3234 0.2937000      0.6469000 
1 1 1 15 8  56 o 11.500  0.2086 0.1550000      0.4173000 
1 1 1 15 8  57 o 5.7330  0.4191 -0.2130000     0.8383000 
1 1 1 15 8  58 o 4.4190  0.3829 -0.3354000E-01 0.7658000 
1 1 1 15 8  59 o 6.5600  0.2589 0.2079000      0.5178000 
1 1 1 15 8  60 o 6.4020  0.2738 -0.6725000     0.5477000 
1 1 1 15 8  61 o 2.2240  0.5717 -0.3109000     1.143000  
1 1 1 15 8  62 o 3.0540  0.5664 0.9990000      1.133000  
1 1 1 15 8  63 o 3.2040  0.5555 1.163000       1.111000  
1 1 1 15 8  64 f 2.2300  0.6077 0.5530000E-02  1.215000  
1 1 1 15 8  65 o 3.0340  0.5717 1.285000       1.143000  
1 1 1 15 8  66 o 2.0160  0.5879 0.1886000      1.176000  
1 1 1 15 9  0  o 17.080  0.1906 0.000000       0.000000  
1 1 1 15 9  1  o 12.110  0.1443 -0.2153000     0.2886000 
1 1 1 15 9  2  o 14.330  0.1357 -0.2010000     0.2714000 
1 1 1 15 9  3  o 25.470  0.1428 0.2066000      0.2855000 
1 1 1 15 9  4  f 7.3430  0.2226 0.1985000      0.4452000 
1 1 1 15 9  5  o 8.0960  0.2070 -0.4377000     0.4140000 
1 1 1 15 9  6  o 19.900  0.1746 -0.3422000     0.3493000 
1 1 1 15 9  7  o 8.4920  0.1768 -0.2094000     0.3536000 
1 1 1 15 9  8  o 2.6410  0.4940 -0.3171000     0.9880000 
1 1 1 15 9  9  o 12.910  0.1490 0.4447000      0.2980000 
1 1 1 15 9  10 o 12.180  0.1644 0.1519000      0.3288000 
1 1 1 15 9  11 o 9.7760  0.1776 -0.2058000     0.3552000 
1 1 1 15 9  12 o 15.930  0.1828 0.7660000      0.3655000 
1 1 1 15 9  13 o 11.770  0.1949 -0.1314000     0.3898000 
1 1 1 15 9  14 o 22.570  0.1409 -0.6976000     0.2817000 
1 1 1 15 9  15 o 30.580  0.1413 -0.4897000     0.2825000 
1 1 1 15 9  16 o 19.040  0.1445 -0.6049000     0.2891000 
1 1 1 15 9  17 o 11.810  0.1728 0.1044000      0.3457000 
1 1 1 15 9  18 o 22.330  0.1348 -0.7207000E-01 0.2695000 
1 1 1 15 9  19 o 26.710  0.1282 -0.5151000     0.2565000 
1 1 1 15 9  20 o 24.880  0.1386 0.3921000      0.2772000 
1 1 1 15 9  21 o 4.4980  0.4097 0.8149000E-01  0.8194000 
1 1 1 15 9  22 o 10.850  0.1707 -0.2168000     0.3414000 
1 1 1 15 9  23 o 5.5290  0.3405 0.3913000      0.6810000 
1 1 1 15 9  24 o 12.610  0.1895 0.3801000      0.3790000 
1 1 1 15 9  25 o 11.120  0.2035 -0.3696000     0.4070000 
1 1 1 15 9  26 o 14.680  0.1778 0.5159000      0.3555000 
1 1 1 15 9  27 o 10.420  0.2222 0.4044000      0.4443000 
1 1 1 15 9  28 o 8.2240  0.2348 -0.6684000     0.4696000 
1 1 1 15 9  29 o 16.320  0.1779 -0.3956000     0.3559000 
1 1 1 15 9  30 f 16.330  0.1839 0.5284000      0.3678000 
1 1 1 15 9  31 o 14.860  0.1728 0.7252000E-01  0.3455000 
1 1 1 15 9  32 o 11.370  0.2259 -0.4661000     0.4518000 
1 1 1 15 9  33 o 8.2140  0.2891 0.1529000      0.5781000 
1 1 1 15 9  34 o 14.160  0.2069 0.8746000      0.4137000 
1 1 1 15 9  35 o 14.610  0.1859 -0.9391000E-01 0.3717000 
1 1 1 15 9  36 o 6.1120  0.3925 1.520000       0.7849000 
1 1 1 15 9  37 o 5.1020  0.4868 0.4718000      0.9736000 
1 1 1 15 9  38 o 8.3880  0.3046 -0.4875000     0.6093000 
1 1 1 15 9  39 f 11.880  0.2314 0.1428000      0.4627000 
1 1 1 15 9  40 o 10.240  0.2589 0.1001000      0.5179000 
1 1 1 15 9  41 o 5.8840  0.4825 -2.090000      0.9651000 
1 1 1 15 9  42 o 9.6840  0.2988 0.2998000      0.5976000 
1 1 1 15 9  43 o 16.440  0.2124 -0.5617000E-01 0.4247000 
1 1 1 15 9  44 o 11.760  0.2548 0.1892000      0.5096000 
1 1 1 15 9  45 o 4.2720  0.6075 -1.757000      1.215000  
1 1 1 15 9  46 o 13.760  0.2264 0.4783000      0.4527000 
1 1 1 15 9  47 o 3.5620  0.6345 0.5458000      1.269000  
1 1 1 15 9  48 o 10.090  0.2544 -0.8447000     0.5087000 
1 1 1 15 9  49 o 6.6490  0.3224 -1.316000      0.6449000 
1 1 1 15 9  50 o 7.8370  0.2689 -0.4933000     0.5379000 
1 1 1 15 9  51 o 6.2200  0.3271 -0.2722000     0.6543000 
1 1 1 15 9  52 o 6.6500  0.2951 1.396000       0.5903000 
1 1 1 15 9  53 o 4.3150  0.3634 0.6723000      0.7268000 
1 1 1 15 9  54 o 11.930  0.1733 -0.2157000E-01 0.3467000 
1 1 1 15 9  55 o 6.2170  0.2676 -0.8675000E-01 0.5351000 
1 1 1 15 9  56 o 2.6480  0.5450 -0.2479000E-01 1.090000  
1 1 1 15 9  57 o 3.6570  0.4727 -1.374000      0.9454000 
1 1 1 15 9  58 o 8.4790  0.2966 -0.6241000     0.5931000 
1 1 1 15 9  59 o 2.2730  0.5842 0.8291000      1.168000  
1 1 1 15 9  60 o 4.4470  0.4739 0.2636000      0.9478000 
1 1 1 15 9  61 o 5.0870  0.3629 1.307000       0.7258000 
1 1 1 15 9  62 o 7.4350  0.2592 -0.2539000E-01 0.5185000 
1 1 1 15 9  63 o 8.5160  0.2466 -0.1917000     0.4933000 
1 1 1 15 9  64 o 6.8560  0.2929 0.8290000      0.5859000 
1 1 1 15 9  65 o 8.5970  0.2495 0.8505000      0.4990000 
1 1 1 15 9  66 o 4.4560  0.4805 2.305000       0.9610000 
1 1 1 15 10 0  o 22.150  0.1948 0.000000       0.000000  
1 1 1 15 10 1  o 7.6280  0.1968 -0.3652000     0.3935000 
1 1 1 15 10 2  o 16.850  0.1352 -0.6096000E-01 0.2703000 
1 1 1 15 10 3  o 6.7290  0.2181 -0.9061000E-01 0.4363000 
1 1 1 15 10 4  o 13.870  0.1410 -0.1312000     0.2821000 
1 1 1 15 10 5  o 6.2030  0.2379 0.8283000      0.4759000 
1 1 1 15 10 6  o 12.330  0.1541 0.3274000      0.3082000 
1 1 1 15 10 7  o 8.2460  0.2051 -0.2696000     0.4102000 
1 1 1 15 10 8  o 7.7580  0.2251 -0.4023000     0.4503000 
1 1 1 15 10 9  o 9.6660  0.1900 -0.1757000     0.3801000 
1 1 1 15 10 10 o 13.490  0.1553 -0.1349000     0.3105000 
1 1 1 15 10 11 o 10.100  0.1801 -0.5381000     0.3603000 
1 1 1 15 10 12 o 11.930  0.1790 -0.4140000     0.3579000 
1 1 1 15 10 13 o 9.1090  0.2422 0.6373000      0.4844000 
1 1 1 15 10 14 o 11.300  0.2175 -0.6380000     0.4349000 
1 1 1 15 10 15 o 21.030  0.1371 -0.2212000     0.2741000 
1 1 1 15 10 16 o 13.150  0.1673 0.5979000      0.3345000 
1 1 1 15 10 17 o 19.100  0.1503 -0.1404000     0.3006000 
1 1 1 15 10 18 o 14.610  0.1654 0.5677000      0.3308000 
1 1 1 15 10 19 o 25.810  0.1344 -0.1972000     0.2687000 
1 1 1 15 10 20 o 10.660  0.1590 -0.1762000     0.3179000 
1 1 1 15 10 21 o 3.6440  0.4027 -0.6832000     0.8053000 
1 1 1 15 10 22 o 18.580  0.1239 0.5139000      0.2479000 
1 1 1 15 10 23 o 14.040  0.1671 -0.4903000     0.3343000 
1 1 1 15 10 24 o 21.320  0.1520 0.4833000      0.3040000 
1 1 1 15 10 25 o 15.000  0.1623 -0.1658000     0.3246000 
1 1 1 15 10 26 o 16.030  0.1590 0.1243000      0.3180000 
1 1 1 15 10 27 o 8.2660  0.2408 0.2935000      0.4816000 
1 1 1 15 10 28 o 10.420  0.2040 -0.4562000     0.4079000 
1 1 1 15 10 29 o 11.730  0.2144 -0.7232000E-01 0.4289000 
1 1 1 15 10 30 o 12.520  0.1928 0.7611000      0.3856000 
1 1 1 15 10 31 o 11.300  0.2289 0.6698000      0.4578000 
1 1 1 15 10 32 o 24.570  0.1727 0.4393000      0.3453000 
1 1 1 15 10 33 o 3.6830  0.5304 -0.7351000     1.061000  
1 1 1 15 10 34 o 5.8550  0.3815 0.8827000      0.7631000 
1 1 1 15 10 35 o 8.7430  0.2514 -0.9256000     0.5029000 
1 1 1 15 10 36 o 4.7280  0.4218 -1.767000      0.8436000 
1 1 1 15 10 37 o 13.320  0.1824 0.4214000      0.3648000 
1 1 1 15 10 38 o 11.350  0.2023 -0.4567000     0.4046000 
1 1 1 15 10 39 o 14.440  0.1785 0.3536000      0.3571000 
1 1 1 15 10 40 o 6.7480  0.4166 1.224000       0.8331000 
1 1 1 15 10 41 o 7.3250  0.3777 0.6523000      0.7553000 
1 1 1 15 10 42 o 14.370  0.2261 -0.6489000E-01 0.4522000 
1 1 1 15 10 43 o 6.1470  0.4022 0.2831000      0.8045000 
1 1 1 15 10 44 o 4.4480  0.5892 0.4724000      1.178000  
1 1 1 15 10 45 o 11.150  0.2650 -0.4320000     0.5301000 
1 1 1 15 10 46 o 7.1600  0.3928 -1.139000      0.7857000 
1 1 1 15 10 47 o 9.9620  0.2098 0.2417000      0.4195000 
1 1 1 15 10 48 o 2.6480  0.5497 0.8967000      1.099000  
1 1 1 15 10 49 o 2.5340  0.5891 -0.1924000     1.178000  
1 1 1 15 10 50 o 6.7960  0.2105 -0.2378000E-01 0.4211000 
1 1 1 15 10 51 o 1.9050  0.4872 -0.8538000     0.9745000 
1 1 1 15 10 52 o 2.8170  0.4990 0.1306000      0.9981000 
1 1 1 15 10 53 o 3.0200  0.6396 -0.5369000E-01 1.279000  
1 1 1 15 10 54 o 1.5210  0.4940 -0.4527000E-02 0.9880000 
1 1 1 15 10 55 o 4.8490  0.4429 -0.8501000     0.8857000 
1 1 1 15 10 56 o 11.490  0.1748 -0.4235000     0.3495000 
1 1 1 15 10 57 o 7.9760  0.2174 0.2615000      0.4348000 
1 1 1 15 10 58 f 1.5230  0.4829 -0.3107000     0.9659000 
1 1 1 15 10 59 o 2.8590  0.5646 0.5795000E-02  1.129000  
1 1 1 15 10 60 o 2.9460  0.5537 0.6447000      1.107000  
1 1 1 15 10 61 o 5.8250  0.4082 1.234000       0.8164000 
1 1 1 15 10 62 o 2.0090  0.5737 0.5601000      1.147000  
1 1 1 15 10 63 o 8.2090  0.2324 0.4918000      0.4647000 
1 1 1 15 10 64 o 7.7620  0.2664 0.1880000      0.5328000 
1 1 1 15 10 65 o 3.8850  0.5079 1.438000       1.016000  
1 1 1 15 11 0  f 12.610  0.2179 0.000000       0.000000  
1 1 1 15 11 1  o 16.240  0.1427 0.1931000      0.2853000 
1 1 1 15 11 2  o 17.940  0.1411 0.2953000      0.2822000 
1 1 1 15 11 3  o 3.8100  0.4104 -0.7911000E-01 0.8208000 
1 1 1 15 11 4  o 11.600  0.1607 0.2835000      0.3213000 
1 1 1 15 11 5  o 8.5970  0.1964 -0.2624000     0.3928000 
1 1 1 15 11 6  o 19.280  0.1408 0.8317000E-01  0.2816000 
1 1 1 15 11 7  o 14.600  0.1528 0.3854000      0.3057000 
1 1 1 15 11 8  o 16.250  0.1607 -0.1943000     0.3214000 
1 1 1 15 11 9  o 10.750  0.2054 -0.1577000E-01 0.4109000 
1 1 1 15 11 10 o 21.780  0.1527 -0.1466000     0.3055000 
1 1 1 15 11 11 o 25.350  0.1588 -0.1747000     0.3176000 
1 1 1 15 11 12 o 10.580  0.1762 0.2723000      0.3524000 
1 1 1 15 11 13 o 14.490  0.1992 -0.5555000     0.3983000 
1 1 1 15 11 14 o 1.8930  0.7909 ?              ?         
1 1 1 15 11 15 o 23.900  0.1434 -0.1632000     0.2868000 
1 1 1 15 11 16 o 22.320  0.1790 0.5801000      0.3581000 
1 1 1 15 11 17 o 11.270  0.2023 0.4106000      0.4046000 
1 1 1 15 11 18 o 11.950  0.1873 -0.4064000E-01 0.3746000 
1 1 1 15 11 19 o 22.500  0.1252 -0.1437000     0.2504000 
1 1 1 15 11 20 o 2.5220  0.5171 -0.2939000     1.034000  
1 1 1 15 11 21 o 13.240  0.1346 0.3582000      0.2691000 
1 1 1 15 11 22 o 10.230  0.1560 0.3658000      0.3119000 
1 1 1 15 11 23 o 5.0270  0.2827 -0.8080000E-02 0.5654000 
1 1 1 15 11 24 o 21.700  0.1529 -0.2245000E-01 0.3057000 
1 1 1 15 11 25 o 15.080  0.1648 -0.4949000     0.3295000 
1 1 1 15 11 26 o 23.330  0.1559 0.8977000E-01  0.3117000 
1 1 1 15 11 27 o 2.7110  0.6274 -1.588000      1.255000  
1 1 1 15 11 28 o 25.050  0.1581 -0.5848000     0.3162000 
1 1 1 15 11 29 o 15.800  0.1865 0.4683000      0.3730000 
1 1 1 15 11 30 o 16.130  0.1855 0.2500000      0.3711000 
1 1 1 15 11 31 o 4.6980  0.4614 -0.9140000E-01 0.9228000 
1 1 1 15 11 32 o 12.200  0.1842 0.6558000      0.3684000 
1 1 1 15 11 33 o 6.4770  0.3241 -0.2191000     0.6481000 
1 1 1 15 11 34 o 15.780  0.1755 0.1212000      0.3510000 
1 1 1 15 11 35 o 11.850  0.1889 -0.2107000     0.3778000 
1 1 1 15 11 36 o 9.7550  0.2147 -0.4217000     0.4293000 
1 1 1 15 11 37 o 10.180  0.2097 -0.5338000     0.4193000 
1 1 1 15 11 38 o 7.9220  0.2567 -0.3940000     0.5134000 
1 1 1 15 11 39 o 10.080  0.2194 0.1960000      0.4389000 
1 1 1 15 11 40 o 3.8440  0.5791 0.8493000      1.158000  
1 1 1 15 11 41 o 3.8120  0.5741 -0.6769000     1.148000  
1 1 1 15 11 42 o 3.0520  0.7089 0.3606000      1.418000  
1 1 1 15 11 43 o 6.5480  0.2895 -0.1693000     0.5790000 
1 1 1 15 11 44 o 3.7880  0.5128 1.277000       1.026000  
1 1 1 15 11 45 o 15.650  0.2218 -1.108000      0.4436000 
1 1 1 15 11 46 o 13.670  0.1761 0.7141000      0.3523000 
1 1 1 15 11 47 o 3.1030  0.5482 0.7161000E-01  1.096000  
1 1 1 15 11 48 o 2.8360  0.5041 1.589000       1.008000  
1 1 1 15 11 49 o 7.2320  0.2596 -0.3169000     0.5192000 
1 1 1 15 11 50 o 3.8410  0.4842 0.3044000      0.9684000 
1 1 1 15 11 51 o 6.0580  0.3539 -0.5990000E-01 0.7077000 
1 1 1 15 11 52 o 7.0130  0.2210 0.4215000      0.4421000 
1 1 1 15 11 53 o 8.3250  0.1882 0.2454000      0.3764000 
1 1 1 15 11 54 o 2.2320  0.5150 0.9368000      1.030000  
1 1 1 15 11 55 o 2.6660  0.5084 0.4707000      1.017000  
1 1 1 15 11 56 o 3.9150  0.3951 1.101000       0.7903000 
1 1 1 15 11 57 o 5.6170  0.3759 0.1116000      0.7518000 
1 1 1 15 11 58 o 8.0230  0.2806 -0.1117000     0.5612000 
1 1 1 15 11 59 o 2.0110  0.6045 0.1741000      1.209000  
1 1 1 15 11 60 o 2.6460  0.5314 -1.001000      1.063000  
1 1 1 15 11 61 o 5.4790  0.3255 0.5930000      0.6509000 
1 1 1 15 11 62 o 3.0020  0.5466 0.1851000      1.093000  
1 1 1 15 11 63 o 4.8620  0.4381 -0.4692000     0.8762000 
1 1 1 15 11 64 o 4.6290  0.4949 0.7136000      0.9899000 
1 1 1 15 12 0  o 15.320  0.2129 0.000000       0.000000  
1 1 1 15 12 1  o 16.830  0.1479 0.4654000      0.2959000 
1 1 1 15 12 2  o 21.370  0.1451 -0.3281000     0.2902000 
1 1 1 15 12 3  o 8.7960  0.2051 -0.7182000     0.4103000 
1 1 1 15 12 4  o 12.030  0.1676 -0.2380000     0.3352000 
1 1 1 15 12 5  o 14.990  0.1548 0.4006000      0.3096000 
1 1 1 15 12 6  o 33.270  0.1886 -0.7708000E-01 0.3772000 
1 1 1 15 12 7  o 7.9500  0.2656 -0.5750000     0.5313000 
1 1 1 15 12 8  o 3.1460  0.5504 1.129000       1.101000  
1 1 1 15 12 9  o 18.990  0.1637 0.1682000      0.3274000 
1 1 1 15 12 10 o 3.6760  0.5837 0.7558000      1.167000  
1 1 1 15 12 11 o 20.180  0.1590 0.1966000      0.3179000 
1 1 1 15 12 12 o 24.250  0.1480 -0.3542000     0.2960000 
1 1 1 15 12 13 o 8.6700  0.2272 -0.7401000     0.4544000 
1 1 1 15 12 14 o 13.530  0.2018 -0.7371000     0.4036000 
1 1 1 15 12 15 o 17.050  0.1557 0.1245000      0.3114000 
1 1 1 15 12 16 o 17.360  0.1657 -0.2182000     0.3314000 
1 1 1 15 12 17 o 21.480  0.1558 -0.3230000     0.3117000 
1 1 1 15 12 18 o 7.6750  0.2904 0.9733000      0.5809000 
1 1 1 15 12 19 o 12.420  0.1582 -0.8716000E-01 0.3164000 
1 1 1 15 12 20 o 4.2370  0.3788 0.4635000      0.7576000 
1 1 1 15 12 21 o 18.640  0.1219 0.2119000      0.2438000 
1 1 1 15 12 22 o 21.750  0.1224 0.1705000      0.2448000 
1 1 1 15 12 23 o 17.430  0.1229 0.1047000      0.2458000 
1 1 1 15 12 24 o 8.8340  0.1729 0.1049000      0.3457000 
1 1 1 15 12 25 o 11.520  0.1621 -0.2471000     0.3242000 
1 1 1 15 12 26 o 12.260  0.2075 0.1456000      0.4150000 
1 1 1 15 12 27 o 4.9850  0.4043 0.2114000      0.8086000 
1 1 1 15 12 28 o 10.730  0.1995 -0.1912000     0.3989000 
1 1 1 15 12 29 f 8.4100  0.2786 0.7966000      0.5572000 
1 1 1 15 12 30 o 8.3320  0.2821 0.9212000      0.5642000 
1 1 1 15 12 31 o 8.3600  0.2394 0.2947000      0.4788000 
1 1 1 15 12 32 o 7.0640  0.3151 0.9058000      0.6303000 
1 1 1 15 12 33 o 9.6430  0.2370 0.6624000      0.4740000 
1 1 1 15 12 34 o 6.9040  0.2799 0.2887000      0.5597000 
1 1 1 15 12 35 o 12.120  0.1785 -0.1113000     0.3570000 
1 1 1 15 12 36 o 5.3190  0.3983 1.540000       0.7967000 
1 1 1 15 12 37 o 11.650  0.2424 -0.2997000     0.4848000 
1 1 1 15 12 38 o 8.9970  0.2928 -0.1587000     0.5856000 
1 1 1 15 12 39 o 6.0360  0.4566 0.4246000      0.9133000 
1 1 1 15 12 40 o 1.8560  0.6132 0.2002000      1.226000  
1 1 1 15 12 41 o 3.0000  0.6919 -1.320000      1.384000  
1 1 1 15 12 42 o 10.920  0.2486 0.3831000      0.4972000 
1 1 1 15 12 43 o 5.7920  0.4673 -0.4332000     0.9346000 
1 1 1 15 12 45 o 8.1070  0.2227 0.1551000      0.4454000 
1 1 1 15 12 46 o 8.9030  0.2193 0.7435000      0.4385000 
1 1 1 15 12 47 o 3.9910  0.4477 -0.3286000E-01 0.8955000 
1 1 1 15 12 48 o 4.6320  0.4034 0.5108000      0.8068000 
1 1 1 15 12 49 o 8.1380  0.2405 0.6180000      0.4809000 
1 1 1 15 12 50 o 2.1930  0.5683 -2.152000      1.137000  
1 1 1 15 12 51 o 2.0050  0.5684 0.1489000      1.137000  
1 1 1 15 12 52 o 7.6560  0.2896 1.094000       0.5792000 
1 1 1 15 12 53 o 8.3830  0.1740 0.6112000      0.3479000 
1 1 1 15 12 54 o 5.6570  0.2513 -0.1713000     0.5026000 
1 1 1 15 12 55 f 5.6920  0.2413 -0.2165000     0.4825000 
1 1 1 15 12 56 o 5.2790  0.2692 1.094000       0.5384000 
1 1 1 15 12 57 o 4.5600  0.3268 0.9189000      0.6537000 
1 1 1 15 12 58 o 11.560  0.1602 0.6955000      0.3204000 
1 1 1 15 12 59 o 7.2970  0.2185 -0.4779000     0.4370000 
1 1 1 15 12 60 o 4.3720  0.3641 1.150000       0.7281000 
1 1 1 15 12 61 o 5.9880  0.4729 -0.8412000     0.9458000 
1 1 1 15 12 62 o 6.1030  0.3765 0.8841000      0.7530000 
1 1 1 15 12 63 o 3.8860  0.4723 -0.4166000     0.9447000 
1 1 1 15 12 64 o 5.7860  0.3176 1.364000       0.6352000 
1 1 1 15 13 0  o 0.8581  0.6096 0.000000       0.000000  
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1 1 1 15 13 2  o 26.470  0.1370 0.4743000      0.2741000 
1 1 1 15 13 3  o 15.000  0.1435 0.2245000      0.2870000 
1 1 1 15 13 4  o 11.640  0.1642 0.1931000      0.3285000 
1 1 1 15 13 5  o 15.870  0.1533 0.5707000      0.3065000 
1 1 1 15 13 6  o 14.950  0.1820 -0.6168000E-01 0.3641000 
1 1 1 15 13 7  o 5.6020  0.3604 -1.694000      0.7208000 
1 1 1 15 13 8  o 5.6860  0.3584 -0.4209000     0.7168000 
1 1 1 15 13 9  o 8.7440  0.2475 -0.5130000     0.4951000 
1 1 1 15 13 10 o 16.890  0.1574 -0.5893000     0.3149000 
1 1 1 15 13 11 o 14.070  0.1807 0.4202000      0.3614000 
1 1 1 15 13 12 o 2.5380  0.5910 0.5517000      1.182000  
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1 1 1 15 13 14 o 7.6030  0.2771 -0.2417000     0.5542000 
1 1 1 15 13 15 o 19.290  0.1456 -0.6132000E-01 0.2913000 
1 1 1 15 13 16 o 8.5930  0.2206 0.2398000E-01  0.4413000 
1 1 1 15 13 17 o 18.770  0.1714 -0.6036000     0.3428000 
1 1 1 15 13 18 o 28.560  0.1607 -0.2006000E-01 0.3215000 
1 1 1 15 13 19 o 12.600  0.1530 0.6083000E-01  0.3059000 
1 1 1 15 13 20 o 13.230  0.1554 0.2181000      0.3109000 
1 1 1 15 13 21 o 7.9470  0.2075 -0.4447000E-01 0.4149000 
1 1 1 15 13 22 o 7.9910  0.2055 0.3680000      0.4109000 
1 1 1 15 13 23 o 10.850  0.2142 -0.6160000     0.4284000 
1 1 1 15 13 24 o 20.650  0.1302 0.1525000      0.2604000 
1 1 1 15 13 25 o 11.880  0.1459 0.5193000      0.2919000 
1 1 1 15 13 26 o 4.8770  0.3597 0.9087000      0.7193000 
1 1 1 15 13 27 o 2.1060  0.5654 0.5752000      1.131000  
1 1 1 15 13 28 o 13.350  0.2028 -0.5575000     0.4056000 
1 1 1 15 13 29 o 18.710  0.1809 0.7412000      0.3617000 
1 1 1 15 13 30 o 4.4430  0.5369 2.088000       1.074000  
1 1 1 15 13 31 o 17.140  0.1719 -0.4314000     0.3438000 
1 1 1 15 13 32 o 14.780  0.1648 -0.4444000     0.3297000 
1 1 1 15 13 33 f 12.630  0.2190 -0.3931000     0.4380000 
1 1 1 15 13 34 o 8.0160  0.3120 -0.2756000     0.6240000 
1 1 1 15 13 35 o 3.9110  0.6128 -0.8419000     1.226000  
1 1 1 15 13 36 o 9.4860  0.2702 -0.1526000     0.5405000 
1 1 1 15 13 37 o 5.3090  0.4612 0.7580000      0.9224000 
1 1 1 15 13 38 o 19.710  0.1907 0.5939000E-01  0.3814000 
1 1 1 15 13 39 o 5.4660  0.4765 -1.034000      0.9530000 
1 1 1 15 13 40 o 5.5600  0.4576 -0.1800000     0.9153000 
1 1 1 15 13 41 o 10.630  0.2587 -0.2579000     0.5174000 
1 1 1 15 13 42 o 6.2450  0.3718 -0.2164000     0.7435000 
1 1 1 15 13 43 o 3.2390  0.6712 0.8057000      1.342000  
1 1 1 15 13 44 o 3.7210  0.6086 -2.466000      1.217000  
1 1 1 15 13 45 o 7.6320  0.4571 -0.8489000     0.9142000 
1 1 1 15 13 46 o 8.6940  0.3346 -0.4353000     0.6691000 
1 1 1 15 13 47 o 11.190  0.2727 0.7591000      0.5455000 
1 1 1 15 13 48 o 3.9240  0.6033 -1.348000      1.207000  
1 1 1 15 13 49 o 3.2080  0.7740 0.5056000      1.548000  
1 1 1 15 13 50 o 7.0530  0.3558 0.5065000      0.7116000 
1 1 1 15 13 51 o 4.5450  0.5034 0.3840000      1.007000  
1 1 1 15 13 52 o 3.8840  0.4865 -0.2392000     0.9730000 
1 1 1 15 13 53 o 6.7550  0.2689 -0.1669000     0.5379000 
1 1 1 15 13 54 o 2.8160  0.5558 -0.9591000     1.112000  
1 1 1 15 13 55 o 6.4020  0.1896 0.1313000      0.3792000 
1 1 1 15 13 56 o 5.9540  0.2155 0.4106000      0.4311000 
1 1 1 15 13 57 o 6.6170  0.2136 0.2472000      0.4271000 
1 1 1 15 13 58 o 8.2940  0.1878 0.2230000      0.3757000 
1 1 1 15 13 59 o 8.9960  0.1813 0.4065000      0.3625000 
1 1 1 15 13 60 o 2.0630  0.5152 0.9160000      1.030000  
1 1 1 15 13 61 f 2.6540  0.5331 -0.1754000     1.066000  
1 1 1 15 13 62 o 8.2440  0.2193 0.9631000      0.4387000 
1 1 1 15 13 63 o 3.2160  0.5299 -0.4392000     1.060000  
1 1 1 15 14 0  o 23.170  0.1977 0.000000       0.000000  
1 1 1 15 14 1  o 22.130  0.1409 -0.1111000     0.2818000 
1 1 1 15 14 2  o 9.0070  0.2216 0.2075000E-01  0.4432000 
1 1 1 15 14 3  o 9.1980  0.2177 -0.2436000     0.4353000 
1 1 1 15 14 4  o 18.030  0.1649 -0.1594000     0.3298000 
1 1 1 15 14 5  o 16.220  0.1689 -0.3234000     0.3377000 
1 1 1 15 14 6  o 23.920  0.1412 -0.1079000     0.2823000 
1 1 1 15 14 7  o 6.9350  0.2967 0.7721000      0.5933000 
1 1 1 15 14 8  o 25.250  0.1568 -0.1970000     0.3136000 
1 1 1 15 14 9  o 24.790  0.1413 -0.8630000E-01 0.2827000 
1 1 1 15 14 10 o 14.320  0.1556 0.4179000      0.3113000 
1 1 1 15 14 11 o 1.6870  0.5239 0.2680000      1.048000  
1 1 1 15 14 12 o 15.580  0.1527 0.6714000E-01  0.3053000 
1 1 1 15 14 13 o 12.820  0.1610 0.1423000      0.3220000 
1 1 1 15 14 14 o 11.390  0.1838 0.9108000E-01  0.3676000 
1 1 1 15 14 15 o 11.140  0.1859 0.2014000      0.3717000 
1 1 1 15 14 16 o 9.2140  0.2098 -0.2839000     0.4195000 
1 1 1 15 14 17 o 9.6260  0.2076 -0.2559000     0.4151000 
1 1 1 15 14 18 o 28.330  0.1724 -0.2292000     0.3449000 
1 1 1 15 14 19 o 23.800  0.1599 -0.3673000E-01 0.3199000 
1 1 1 15 14 20 o 9.4460  0.1860 0.5355000      0.3719000 
1 1 1 15 14 21 o 7.8230  0.3429 0.2939000      0.6857000 
1 1 1 15 14 22 o 12.180  0.1566 0.3094000      0.3132000 
1 1 1 15 14 23 o 7.5980  0.2240 0.8857000      0.4481000 
1 1 1 15 14 24 o 6.5270  0.2520 0.1516000      0.5039000 
1 1 1 15 14 25 o 9.7600  0.1783 0.7872000      0.3567000 
1 1 1 15 14 26 o 2.0270  0.5410 0.1862000      1.082000  
1 1 1 15 14 27 o 4.7690  0.3660 0.1853000      0.7320000 
1 1 1 15 14 28 f 6.6890  0.4044 0.7624000      0.8089000 
1 1 1 15 14 29 o 6.6410  0.4745 -0.1740000     0.9490000 
1 1 1 15 14 30 o 7.2520  0.4369 1.647000       0.8738000 
1 1 1 15 14 31 o 7.6690  0.3309 0.8657000      0.6619000 
1 1 1 15 14 32 o 8.0020  0.3156 -0.1769000     0.6311000 
1 1 1 15 14 33 o 11.940  0.2313 -0.7878000     0.4625000 
1 1 1 15 14 34 o 10.600  0.2499 -0.2673000     0.4998000 
1 1 1 15 14 35 o 2.6350  0.6505 -1.241000      1.301000  
1 1 1 15 14 36 o 16.370  0.1923 0.1970000      0.3846000 
1 1 1 15 14 37 o 6.7480  0.3912 -0.4115000     0.7823000 
1 1 1 15 14 38 o 14.130  0.2202 0.1184000      0.4404000 
1 1 1 15 14 39 o 3.4980  0.6481 1.471000       1.296000  
1 1 1 15 14 40 f 9.9460  0.2942 -0.2052000     0.5884000 
1 1 1 15 14 41 f 9.0420  0.2983 0.3329000      0.5967000 
1 1 1 15 14 42 o 5.5210  0.5056 -0.1903000     1.011000  
1 1 1 15 14 43 f 1.8410  0.5913 -0.2531000     1.183000  
1 1 1 15 14 44 o 5.2290  0.4953 -0.9787000     0.9906000 
1 1 1 15 14 45 o 2.0460  0.6206 -0.3393000     1.241000  
1 1 1 15 14 46 o 6.5410  0.3715 0.6212000      0.7430000 
1 1 1 15 14 47 o 4.9390  0.5046 -1.279000      1.009000  
1 1 1 15 14 48 o 9.8090  0.2997 -0.1391000     0.5995000 
1 1 1 15 14 49 o 7.2510  0.3270 -0.2592000     0.6540000 
1 1 1 15 14 50 o 2.8830  0.6793 -0.8086000     1.359000  
1 1 1 15 14 51 o 3.1650  0.6646 -1.132000      1.329000  
1 1 1 15 14 52 o 6.0810  0.3730 0.9697000E-01  0.7460000 
1 1 1 15 14 53 o 5.0620  0.4858 -0.9631000     0.9716000 
1 1 1 15 14 54 o 5.8350  0.4199 0.1072000      0.8397000 
1 1 1 15 14 55 o 3.8590  0.4579 -0.3316000     0.9157000 
1 1 1 15 14 56 o 2.4600  0.5538 0.3193000      1.108000  
1 1 1 15 14 57 o 8.1390  0.1575 0.3052000      0.3151000 
1 1 1 15 14 58 o 2.6090  0.4725 0.2490000E-01  0.9451000 
1 1 1 15 14 59 o 2.1030  0.4985 0.6437000      0.9970000 
1 1 1 15 14 60 o 4.3750  0.3178 0.1328000      0.6357000 
1 1 1 15 14 61 o 2.1610  0.5331 -0.3140000E-01 1.066000  
1 1 1 15 14 62 f 3.5830  0.4447 -0.6521000     0.8894000 
1 1 1 15 15 0  o 37.100  0.3291 0.000000       0.000000  
1 1 1 15 15 1  o 5.7900  0.5032 0.000000       0.000000  
1 1 1 15 15 2  o 13.270  0.2490 0.000000       0.000000  
1 1 1 15 15 3  o 20.000  0.2355 0.000000       0.000000  
1 1 1 15 15 4  o 12.870  0.2785 0.000000       0.000000  
1 1 1 15 15 5  o 4.3790  0.6638 0.000000       0.000000  
1 1 1 15 15 6  o 2.6200  1.0960 0.000000       0.000000  
1 1 1 15 15 7  o 4.8670  0.6152 0.000000       0.000000  
1 1 1 15 15 8  o 23.880  0.1998 0.000000       0.000000  
1 1 1 15 15 9  o 5.5440  0.4790 0.000000       0.000000  
1 1 1 15 15 10 o 10.740  0.2609 0.000000       0.000000  
1 1 1 15 15 11 o 8.1190  0.3188 0.000000       0.000000  
1 1 1 15 15 12 o 6.0740  0.4155 0.000000       0.000000  
1 1 1 15 15 13 o 19.940  0.1804 0.000000       0.000000  
1 1 1 15 15 14 o 14.600  0.2154 0.000000       0.000000  
1 1 1 15 15 15 o 3.8860  0.6719 0.000000       0.000000  
1 1 1 15 15 16 o 13.000  0.2495 0.000000       0.000000  
1 1 1 15 15 17 o 12.610  0.2435 0.000000       0.000000  
1 1 1 15 15 18 o 5.9970  0.4817 0.000000       0.000000  
1 1 1 15 15 19 o 15.480  0.2341 0.000000       0.000000  
1 1 1 15 15 20 o 10.040  0.3018 0.000000       0.000000  
1 1 1 15 15 21 o 35.130  0.2335 0.000000       0.000000  
1 1 1 15 15 22 o 1.1330  0.7720 0.000000       0.000000  
1 1 1 15 15 23 o 9.1030  0.3217 0.000000       0.000000  
1 1 1 15 15 24 o 9.3840  0.4680 0.000000       0.000000  
1 1 1 15 15 25 o 9.6410  0.3155 0.000000       0.000000  
1 1 1 15 15 26 o 1.8870  1.0190 0.000000       0.000000  
1 1 1 15 15 27 o 4.8700  0.5241 0.000000       0.000000  
1 1 1 15 15 28 o 8.5740  0.3127 0.000000       0.000000  
1 1 1 15 15 29 o 1.1640  0.8354 0.000000       0.000000  
1 1 1 15 15 30 o 5.5860  0.6436 0.000000       0.000000  
1 1 1 15 15 31 o 2.0470  1.1290 0.000000       0.000000  
1 1 1 15 15 32 o 1.1480  0.8016 0.000000       0.000000  
1 1 1 15 15 33 o 2.1980  1.1550 0.000000       0.000000  
1 1 1 15 15 34 o 1.7140  1.0430 0.000000       0.000000  
1 1 1 15 15 35 o 6.1770  0.6723 0.000000       0.000000  
1 1 1 15 15 36 o 5.8980  0.6948 0.000000       0.000000  
1 1 1 15 15 37 o 12.890  0.3591 0.000000       0.000000  
1 1 1 15 15 38 f 11.930  0.3689 0.000000       0.000000  
1 1 1 15 15 39 o 1.7300  1.0400 0.000000       0.000000  
1 1 1 15 15 40 o 0.8147  0.5966 0.000000       0.000000  
1 1 1 15 15 41 o 2.6130  1.2040 0.000000       0.000000  
1 1 1 15 15 42 f 2.8240  1.1990 0.000000       0.000000  
1 1 1 15 15 43 o 10.580  0.3795 0.000000       0.000000  
1 1 1 15 15 44 o 5.4820  0.6064 0.000000       0.000000  
1 1 1 15 15 45 o 6.3480  0.5130 0.000000       0.000000  
1 1 1 15 15 46 o 3.1410  1.2310 0.000000       0.000000  
1 1 1 15 15 47 o 10.150  0.4128 0.000000       0.000000  
1 1 1 15 15 48 o 7.4350  0.4457 0.000000       0.000000  
1 1 1 15 15 49 o 1.7440  1.0540 0.000000       0.000000  
1 1 1 15 15 50 o 3.0410  1.1780 0.000000       0.000000  
1 1 1 15 15 51 o 1.2060  0.8215 0.000000       0.000000  
1 1 1 15 15 52 o 9.5260  0.3653 0.000000       0.000000  
1 1 1 15 15 53 o 1.2600  0.8481 0.000000       0.000000  
1 1 1 15 15 54 o 12.690  0.3117 0.000000       0.000000  
1 1 1 15 15 55 o 13.800  0.2983 0.000000       0.000000  
1 1 1 15 15 56 o 1.9070  1.0830 0.000000       0.000000  
1 1 1 15 15 57 o 2.2840  1.1390 0.000000       0.000000  
1 1 1 15 15 58 o 1.2240  0.8345 0.000000       0.000000  
1 1 1 15 15 59 o 3.0670  0.5281 0.000000       0.000000  
1 1 1 15 15 60 o 3.5180  0.5325 0.000000       0.000000  
1 1 1 15 15 61 o 2.5410  0.8401 0.000000       0.000000  
1 1 1 16 0  0  o 3.3370  0.7902 0.000000       0.000000  
1 1 1 16 0  1  o 7.0540  0.2537 0.000000       0.000000  
1 1 1 16 0  2  o 29.140  0.1906 0.000000       0.000000  
1 1 1 16 0  3  o 7.7570  0.2389 0.000000       0.000000  
1 1 1 16 0  4  f 12.690  0.1805 0.000000       0.000000  
1 1 1 16 0  5  o 10.310  0.1984 0.000000       0.000000  
1 1 1 16 0  6  o 12.570  0.2095 0.000000       0.000000  
1 1 1 16 0  7  o 11.780  0.2648 0.000000       0.000000  
1 1 1 16 0  8  o 1.5250  0.9062 0.000000       0.000000  
1 1 1 16 0  9  o 10.580  0.2890 0.000000       0.000000  
1 1 1 16 0  10 o 11.400  0.2785 0.000000       0.000000  
1 1 1 16 0  11 o 4.8360  0.4424 0.000000       0.000000  
1 1 1 16 0  12 o 7.1820  0.3246 0.000000       0.000000  
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1 1 1 16 0  15 o 8.8590  0.3507 0.000000       0.000000  
1 1 1 16 0  16 o 4.4700  0.6241 0.000000       0.000000  
1 1 1 16 0  17 o 3.3590  0.9369 0.000000       0.000000  
1 1 1 16 0  18 o 1.3230  0.8590 0.000000       0.000000  
1 1 1 16 0  19 f 22.700  0.2616 0.000000       0.000000  
1 1 1 16 0  20 o 35.810  0.3132 0.000000       0.000000  
1 1 1 16 0  21 o 8.5500  0.3928 0.000000       0.000000  
1 1 1 16 0  22 o 8.5200  0.4057 0.000000       0.000000  
1 1 1 16 0  23 o 12.870  0.3138 0.000000       0.000000  
1 1 1 16 0  24 o 15.760  0.2955 0.000000       0.000000  
1 1 1 16 0  25 o 10.360  0.3739 0.000000       0.000000  
1 1 1 16 0  26 f 21.720  0.2241 0.000000       0.000000  
1 1 1 16 0  27 o 20.870  0.2275 0.000000       0.000000  
1 1 1 16 0  28 o 2.1290  1.0700 0.000000       0.000000  
1 1 1 16 0  29 o 18.360  0.2315 0.000000       0.000000  
1 1 1 16 0  30 o 1.0470  0.7311 0.000000       0.000000  
1 1 1 16 0  31 o 17.410  0.2362 0.000000       0.000000  
1 1 1 16 0  32 f 15.300  0.2544 0.000000       0.000000  
1 1 1 16 0  33 o 13.480  0.2712 0.000000       0.000000  
1 1 1 16 0  34 f 20.260  0.2362 0.000000       0.000000  
1 1 1 16 0  35 o 13.590  0.3564 0.000000       0.000000  
1 1 1 16 0  36 o 6.1790  0.5234 0.000000       0.000000  
1 1 1 16 0  37 o 17.210  0.3111 0.000000       0.000000  
1 1 1 16 0  38 o 12.950  0.3621 0.000000       0.000000  
1 1 1 16 0  39 o 3.3100  1.1080 0.000000       0.000000  
1 1 1 16 0  40 o 7.6440  0.5091 0.000000       0.000000  
1 1 1 16 0  41 o 6.5550  0.5814 0.000000       0.000000  
1 1 1 16 0  42 o 16.200  0.2231 0.000000       0.000000  
1 1 1 16 0  43 o 13.280  0.2465 0.000000       0.000000  
1 1 1 16 0  44 o 5.1630  0.5353 0.000000       0.000000  
1 1 1 16 0  45 o 8.4500  0.3872 0.000000       0.000000  
1 1 1 16 0  46 o 1.5220  0.9385 0.000000       0.000000  
1 1 1 16 0  47 o 6.4190  0.4216 0.000000       0.000000  
1 1 1 16 0  48 o 10.010  0.2892 0.000000       0.000000  
1 1 1 16 0  49 o 4.9600  0.5431 0.000000       0.000000  
1 1 1 16 0  50 o 5.0320  0.5242 0.000000       0.000000  
1 1 1 16 0  51 o 0.9494  0.6674 0.000000       0.000000  
1 1 1 16 0  52 o 1.9090  1.0550 0.000000       0.000000  
1 1 1 16 0  53 o 11.370  0.2726 0.000000       0.000000  
1 1 1 16 0  54 o 5.9520  0.5190 0.000000       0.000000  
1 1 1 16 0  55 o 1.1230  0.7577 0.000000       0.000000  
1 1 1 16 0  56 o 17.100  0.2249 0.000000       0.000000  
1 1 1 16 0  57 o 1.3000  0.8386 0.000000       0.000000  
1 1 1 16 0  58 o 3.8000  0.7702 0.000000       0.000000  
1 1 1 16 0  59 o 1.2160  0.8295 0.000000       0.000000  
1 1 1 16 0  60 o 1.6020  0.9950 0.000000       0.000000  
1 1 1 16 0  61 o 9.0570  0.4039 0.000000       0.000000  
1 1 1 16 0  62 f 7.7130  0.3996 0.000000       0.000000  
1 1 1 16 0  63 o 1.1400  0.7868 0.000000       0.000000  
1 1 1 16 0  64 o 3.0770  1.1110 0.000000       0.000000  
1 1 1 16 0  65 o 1.5330  0.9211 0.000000       0.000000  
1 1 1 16 0  66 o 1.9820  1.0190 0.000000       0.000000  
1 1 1 16 0  67 o 2.0290  1.0310 0.000000       0.000000  
1 1 1 16 1  0  o 7.8750  0.2355 0.000000       0.000000  
1 1 1 16 1  1  o 6.9700  0.1808 -0.8436000     0.3615000 
1 1 1 16 1  2  o 6.3610  0.1952 0.3321000      0.3905000 
1 1 1 16 1  3  o 17.370  0.1193 -0.1960000     0.2386000 
1 1 1 16 1  4  o 1.5120  0.4446 -0.3489000     0.8891000 
1 1 1 16 1  5  o 9.9030  0.2024 ?              ?         
1 1 1 16 1  6  o 9.1750  0.1747 -0.5535000     0.3493000 
1 1 1 16 1  7  f 8.4480  0.2098 -0.1052000     0.4196000 
1 1 1 16 1  8  o 9.6700  0.1909 0.5764000      0.3818000 
1 1 1 16 1  9  o 6.1730  0.3038 0.7534000      0.6077000 
1 1 1 16 1  10 o 6.6380  0.2850 -0.1866000     0.5700000 
1 1 1 16 1  11 o 8.6360  0.2143 0.5352000      0.4287000 
1 1 1 16 1  12 o 5.4270  0.3002 0.2676000      0.6004000 
1 1 1 16 1  13 o 11.000  0.2401 -0.4448000     0.4801000 
1 1 1 16 1  14 o 16.040  0.2165 0.4409000      0.4330000 
1 1 1 16 1  15 f 4.6300  0.4545 -1.658000      0.9090000 
1 1 1 16 1  16 o 15.180  0.1694 -0.4693000     0.3388000 
1 1 1 16 1  17 o 12.330  0.2025 -0.3712000     0.4050000 
1 1 1 16 1  18 o 8.8340  0.2506 0.2673000      0.5013000 
1 1 1 16 1  19 o 8.5950  0.2611 0.2739000      0.5221000 
1 1 1 16 1  20 o 3.1250  0.6225 -0.2605000E-01 1.245000  
1 1 1 16 1  21 o 15.630  0.1973 0.1317000      0.3947000 
1 1 1 16 1  22 o 18.040  0.1936 -0.3382000     0.3871000 
1 1 1 16 1  23 o 15.570  0.2033 0.3409000      0.4065000 
1 1 1 16 1  24 o 5.1720  0.4853 -1.292000      0.9705000 
1 1 1 16 1  25 o 12.740  0.2092 0.5462000E-01  0.4184000 
1 1 1 16 1  26 o 17.500  0.1860 -0.5826000     0.3721000 
1 1 1 16 1  27 o 17.630  0.1875 -0.2517000     0.3750000 
1 1 1 16 1  28 o 12.010  0.2256 0.2013000      0.4512000 
1 1 1 16 1  29 o 12.510  0.2244 0.1906000      0.4489000 
1 1 1 16 1  30 o 21.560  0.1864 0.1961000      0.3728000 
1 1 1 16 1  31 o 13.450  0.2179 0.4823000E-01  0.4358000 
1 1 1 16 1  32 o 12.020  0.2096 -0.2817000     0.4192000 
1 1 1 16 1  33 o 18.280  0.1963 0.4686000      0.3927000 
1 1 1 16 1  34 o 9.6320  0.2461 -0.2263000     0.4922000 
1 1 1 16 1  35 o 12.510  0.2313 -0.1138000     0.4626000 
1 1 1 16 1  36 o 2.3290  0.6624 -0.3768000     1.325000  
1 1 1 16 1  37 o 9.2040  0.3243 0.1737000      0.6486000 
1 1 1 16 1  38 o 10.520  0.2990 -0.2887000     0.5980000 
1 1 1 16 1  39 o 19.850  0.1995 0.5108000      0.3990000 
1 1 1 16 1  40 o 7.0030  0.3692 -1.032000      0.7383000 
1 1 1 16 1  41 o 17.530  0.1911 -0.8068000E-01 0.3821000 
1 1 1 16 1  42 o 4.8410  0.4833 0.5664000      0.9667000 
1 1 1 16 1  43 o 3.6180  0.5744 0.2110000      1.149000  
1 1 1 16 1  44 o 8.8160  0.2335 0.1257000      0.4670000 
1 1 1 16 1  45 o 13.830  0.1757 0.3910000E-03  0.3514000 
1 1 1 16 1  46 o 4.5910  0.4490 -0.3013000     0.8980000 
1 1 1 16 1  47 o 5.2240  0.3627 0.7960000      0.7254000 
1 1 1 16 1  48 o 6.6930  0.2950 -0.1377000     0.5901000 
1 1 1 16 1  49 o 2.0170  0.5579 -0.8232000     1.116000  
1 1 1 16 1  50 o 9.5460  0.2107 -0.3875000     0.4213000 
1 1 1 16 1  51 o 3.9150  0.5223 -0.1365000     1.045000  
1 1 1 16 1  52 o 5.6430  0.3607 0.7068000      0.7214000 
1 1 1 16 1  53 o 12.670  0.2307 -0.4483000E-01 0.4614000 
1 1 1 16 1  54 o 4.6720  0.3997 -0.5569000     0.7994000 
1 1 1 16 1  55 f 3.2930  0.5568 0.1313000      1.114000  
1 1 1 16 1  56 o 3.3770  0.5608 -0.3317000     1.122000  
1 1 1 16 1  57 o 5.1000  0.3850 -0.1752000     0.7701000 
1 1 1 16 1  58 o 3.2540  0.5794 -1.078000      1.159000  
1 1 1 16 1  59 o 3.6420  0.6005 -0.8158000E-01 1.201000  
1 1 1 16 1  60 o 5.6370  0.3820 -0.4066000     0.7640000 
1 1 1 16 1  61 o 2.8590  0.5958 1.377000       1.192000  
1 1 1 16 1  62 o 5.2700  0.4798 0.9130000      0.9596000 
1 1 1 16 1  63 o 3.5680  0.5575 -1.817000      1.115000  
1 1 1 16 1  64 o 4.6920  0.4506 0.8214000      0.9013000 
1 1 1 16 1  65 o 4.7550  0.4500 0.2425000      0.9000000 
1 1 1 16 1  66 o 8.3560  0.2612 0.7234000      0.5223000 
1 1 1 16 1  67 o 1.6430  0.5294 -0.2784000     1.059000  
1 1 1 16 2  0  o 3.3440  0.5383 0.000000       0.000000  
1 1 1 16 2  1  o 7.1620  0.1781 -0.2044000     0.3563000 
1 1 1 16 2  2  o 8.4670  0.1581 -0.1819000     0.3163000 
1 1 1 16 2  3  o 6.0260  0.2486 0.8214000      0.4971000 
1 1 1 16 2  4  f 10.800  0.1494 0.4052000      0.2988000 
1 1 1 16 2  5  o 10.710  0.1611 0.2342000      0.3222000 
1 1 1 16 2  6  o 7.4460  0.2032 0.1870000      0.4064000 
1 1 1 16 2  7  o 19.660  0.1388 -0.1092000     0.2775000 
1 1 1 16 2  8  o 7.4790  0.2055 -0.4829000     0.4110000 
1 1 1 16 2  9  o 13.800  0.1753 -0.3729000     0.3505000 
1 1 1 16 2  10 o 4.1060  0.4463 -0.9537000     0.8926000 
1 1 1 16 2  11 o 16.410  0.2045 0.1752000      0.4089000 
1 1 1 16 2  12 o 6.8980  0.2732 -0.1258000     0.5463000 
1 1 1 16 2  13 o 3.6990  0.5803 -0.2911000E-01 1.161000  
1 1 1 16 2  14 o 3.9290  0.5666 -0.2814000     1.133000  
1 1 1 16 2  15 o 11.360  0.2390 0.1817000      0.4779000 
1 1 1 16 2  16 o 10.880  0.1964 0.3698000      0.3928000 
1 1 1 16 2  17 o 13.770  0.1758 -0.2088000     0.3515000 
1 1 1 16 2  18 o 10.980  0.1998 -0.2144000     0.3996000 
1 1 1 16 2  19 o 17.940  0.1698 -0.1656000     0.3397000 
1 1 1 16 2  20 o 20.540  0.1878 -0.2288000E-01 0.3756000 
1 1 1 16 2  21 o 5.6270  0.4026 -0.6292000     0.8051000 
1 1 1 16 2  22 o 16.470  0.1975 0.3038000E-01  0.3950000 
1 1 1 16 2  23 o 16.120  0.2008 -0.1599000     0.4017000 
1 1 1 16 2  24 o 9.4340  0.2485 0.2111000      0.4969000 
1 1 1 16 2  25 o 12.270  0.2132 0.2724000      0.4264000 
1 1 1 16 2  26 o 8.1700  0.2922 0.7936000E-01  0.5844000 
1 1 1 16 2  27 f 7.1380  0.2932 -0.7858000     0.5865000 
1 1 1 16 2  28 o 20.490  0.1612 0.1853000      0.3224000 
1 1 1 16 2  29 o 11.730  0.2008 -0.2001000     0.4016000 
1 1 1 16 2  30 o 9.9050  0.2277 0.5532000      0.4554000 
1 1 1 16 2  31 o 7.7170  0.2856 -0.4299000     0.5712000 
1 1 1 16 2  32 o 6.9970  0.3164 0.5168000E-01  0.6328000 
1 1 1 16 2  33 o 17.250  0.1757 -0.2840000     0.3513000 
1 1 1 16 2  34 o 10.430  0.2702 -0.1458000     0.5405000 
1 1 1 16 2  35 o 11.040  0.2641 0.7753000      0.5281000 
1 1 1 16 2  36 o 13.980  0.3318 -1.051000      0.6636000 
1 1 1 16 2  37 o 8.2400  0.4551 1.087000       0.9102000 
1 1 1 16 2  38 o 9.6510  0.3422 0.7328000      0.6844000 
1 1 1 16 2  39 o 9.9090  0.3992 2.057000       0.7984000 
1 1 1 16 2  40 o 6.6350  0.3709 -0.4701000     0.7418000 
1 1 1 16 2  41 o 12.590  0.2132 0.2369000      0.4264000 
1 1 1 16 2  42 o 16.610  0.2091 0.7969000      0.4182000 
1 1 1 16 2  43 o 7.6200  0.3071 -0.2666000     0.6142000 
1 1 1 16 2  44 o 8.4280  0.2455 -0.1621000E-01 0.4910000 
1 1 1 16 2  45 o 1.8230  0.5632 -0.2181000E-01 1.126000  
1 1 1 16 2  46 o 5.7280  0.3278 0.1680000      0.6555000 
1 1 1 16 2  47 o 9.2220  0.2198 -0.8903000     0.4396000 
1 1 1 16 2  48 o 9.9260  0.2197 -0.4425000     0.4394000 
1 1 1 16 2  49 o 8.2470  0.2456 -0.3884000E-01 0.4911000 
1 1 1 16 2  50 o 8.7460  0.2535 -0.3418000     0.5071000 
1 1 1 16 2  51 o 4.6580  0.4020 -0.4336000     0.8039000 
1 1 1 16 2  52 o 5.0300  0.5060 -1.140000      1.012000  
1 1 1 16 2  53 o 3.0050  0.5751 1.277000       1.150000  
1 1 1 16 2  54 o 2.6360  0.5980 0.9956000      1.196000  
1 1 1 16 2  55 o 6.3700  0.2867 -0.4309000     0.5735000 
1 1 1 16 2  56 o 7.3100  0.2593 -0.4038000     0.5187000 
1 1 1 16 2  57 o 3.8140  0.5206 0.1049000E-01  1.041000  
1 1 1 16 2  58 o 4.4540  0.4469 -0.3411000     0.8938000 
1 1 1 16 2  59 o 7.1770  0.2818 1.710000       0.5637000 
1 1 1 16 2  60 o 1.9850  0.5761 -0.1660000     1.152000  
1 1 1 16 2  61 o 6.7580  0.2896 0.5428000E-01  0.5793000 
1 1 1 16 2  62 o 2.6010  0.6173 0.4176000      1.235000  
1 1 1 16 2  63 o 3.8600  0.5176 1.421000       1.035000  
1 1 1 16 2  64 o 2.6200  0.5310 -1.804000      1.062000  
1 1 1 16 2  65 o 2.1290  0.6130 0.4534000      1.226000  
1 1 1 16 2  66 o 5.2620  0.4264 1.213000       0.8528000 
1 1 1 16 2  67 o 2.7960  0.6271 -0.9832000     1.254000  
1 1 1 16 3  0  o 23.170  0.1741 0.000000       0.000000  
1 1 1 16 3  1  o 9.8220  0.1569 -0.6540000     0.3138000 
1 1 1 16 3  2  o 11.080  0.1676 0.3586000      0.3353000 
1 1 1 16 3  3  o 18.240  0.1395 -0.1369000     0.2790000 
1 1 1 16 3  4  o 23.890  0.1436 -0.8742000E-01 0.2872000 
1 1 1 16 3  5  o 8.2890  0.1839 -0.3670000     0.3679000 
1 1 1 16 3  6  o 10.220  0.1616 -0.1102000     0.3233000 
1 1 1 16 3  7  o 9.4110  0.1737 0.6224000E-01  0.3475000 
1 1 1 16 3  8  o 16.150  0.1404 -0.8628000E-01 0.2807000 
1 1 1 16 3  9  o 4.9360  0.3241 0.8552000      0.6481000 
1 1 1 16 3  10 o 7.6140  0.2665 0.1075000      0.5330000 
1 1 1 16 3  11 o 8.2770  0.2520 3.289000       0.5040000 
1 1 1 16 3  12 o 6.5040  0.2871 -0.5989000     0.5741000 
1 1 1 16 3  13 o 17.800  0.2131 -0.1260000E-01 0.4261000 
1 1 1 16 3  14 o 12.020  0.2298 -0.4710000     0.4595000 
1 1 1 16 3  15 o 14.300  0.1777 0.7322000      0.3554000 
1 1 1 16 3  16 o 3.8290  0.4821 -0.1895000     0.9643000 
1 1 1 16 3  17 o 15.290  0.1705 0.1274000E-01  0.3410000 
1 1 1 16 3  18 o 6.8960  0.2809 0.1273000      0.5617000 
1 1 1 16 3  19 o 6.5950  0.2988 -0.2730000     0.5976000 
1 1 1 16 3  20 o 17.150  0.1744 -0.4383000E-01 0.3488000 
1 1 1 16 3  21 o 11.820  0.2049 -0.3219000     0.4098000 
1 1 1 16 3  22 o 9.3460  0.2712 0.7771000E-01  0.5424000 
1 1 1 16 3  23 o 19.100  0.1970 -0.4213000     0.3940000 
1 1 1 16 3  24 o 17.590  0.1829 -0.5880000     0.3657000 
1 1 1 16 3  25 o 15.760  0.1921 -0.3923000     0.3842000 
1 1 1 16 3  26 o 21.030  0.1824 -0.1403000     0.3647000 
1 1 1 16 3  27 o 8.5070  0.2496 -0.8197000     0.4991000 
1 1 1 16 3  28 o 10.430  0.2158 0.4258000      0.4315000 
1 1 1 16 3  29 o 10.420  0.2198 0.5453000      0.4396000 
1 1 1 16 3  30 o 10.980  0.2141 0.2814000E-01  0.4282000 
1 1 1 16 3  31 o 3.7690  0.5721 0.6752000      1.144000  
1 1 1 16 3  32 o 15.270  0.1801 -0.4520000     0.3602000 
1 1 1 16 3  33 o 16.550  0.1766 -0.3319000     0.3532000 
1 1 1 16 3  34 o 8.9950  0.2587 -0.6010000     0.5175000 
1 1 1 16 3  35 o 9.6570  0.2746 -1.039000      0.5491000 
1 1 1 16 3  36 o 5.7850  0.7021 ?              ?         
1 1 1 16 3  37 o 18.240  0.1952 0.4756000      0.3904000 
1 1 1 16 3  38 o 20.380  0.2388 0.3705000E-01  0.4777000 
1 1 1 16 3  39 o 11.770  0.3133 0.9406000      0.6266000 
1 1 1 16 3  40 o 11.340  0.3274 -0.3662000     0.6548000 
1 1 1 16 3  41 o 4.7910  0.5918 1.868000       1.184000  
1 1 1 16 3  42 o 2.1130  0.6477 -0.2411000     1.295000  
1 1 1 16 3  43 o 17.430  0.2088 -0.1525000     0.4176000 
1 1 1 16 3  44 o 3.3860  0.6173 1.895000       1.235000  
1 1 1 16 3  45 o 5.4050  0.3975 -1.079000      0.7951000 
1 1 1 16 3  46 o 9.8580  0.1963 0.1981000      0.3927000 
1 1 1 16 3  47 o 2.6550  0.5822 -0.1830000     1.164000  
1 1 1 16 3  48 o 5.4060  0.3667 -0.5460000     0.7334000 
1 1 1 16 3  49 o 7.2900  0.3309 0.2381000      0.6618000 
1 1 1 16 3  50 o 6.2770  0.3833 0.8359000      0.7666000 
1 1 1 16 3  51 o 8.6300  0.2485 0.1090000      0.4970000 
1 1 1 16 3  52 o 10.090  0.2052 0.6023000E-01  0.4104000 
1 1 1 16 3  53 o 7.8360  0.2580 -0.5071000E-01 0.5159000 
1 1 1 16 3  54 o 9.9430  0.2048 0.1074000      0.4096000 
1 1 1 16 3  55 o 10.290  0.1921 0.3407000      0.3842000 
1 1 1 16 3  56 o 8.1110  0.2313 -0.3523000     0.4626000 
1 1 1 16 3  57 o 5.3400  0.3732 0.4075000      0.7464000 
1 1 1 16 3  58 o 9.3900  0.2438 0.1698000      0.4876000 
1 1 1 16 3  59 o 11.310  0.2018 0.2683000      0.4036000 
1 1 1 16 3  60 o 2.4150  0.5622 -1.004000      1.124000  
1 1 1 16 3  61 o 2.2610  0.5960 -0.1376000     1.192000  
1 1 1 16 3  62 o 5.0550  0.4042 1.054000       0.8084000 
1 1 1 16 3  63 o 2.5380  0.6174 -0.2735000     1.235000  
1 1 1 16 3  64 o 2.9060  0.5818 0.9935000      1.164000  
1 1 1 16 3  65 o 8.3180  0.2584 0.7634000      0.5168000 
1 1 1 16 3  66 o 2.5100  0.6224 -0.4488000     1.245000  
1 1 1 16 3  67 o 4.2470  0.4884 -0.2954000     0.9769000 
1 1 1 16 4  1  o 10.870  0.1567 0.2256000      0.3135000 
1 1 1 16 4  2  o 13.370  0.1629 -0.6491000E-01 0.3258000 
1 1 1 16 4  3  o 8.0370  0.1885 0.1292000      0.3769000 
1 1 1 16 4  4  o 5.2480  0.2690 0.2699000      0.5380000 
1 1 1 16 4  5  o 14.760  0.1388 0.8338000E-02  0.2776000 
1 1 1 16 4  6  o 1.8730  0.4679 -1.240000      0.9358000 
1 1 1 16 4  7  o 8.8890  0.1778 0.4515000      0.3555000 
1 1 1 16 4  8  o 21.850  0.1414 -0.7328000E-01 0.2828000 
1 1 1 16 4  9  o 10.610  0.2157 -0.8608000     0.4314000 
1 1 1 16 4  10 o 4.6720  0.4102 0.6815000E-01  0.8203000 
1 1 1 16 4  11 o 10.560  0.2164 -0.6199000E-01 0.4328000 
1 1 1 16 4  12 o 18.670  0.1547 0.4942000E-01  0.3093000 
1 1 1 16 4  13 o 11.540  0.1770 0.5328000      0.3540000 
1 1 1 16 4  14 o 7.1460  0.3459 1.240000       0.6918000 
1 1 1 16 4  15 o 19.020  0.1655 -0.1870000     0.3310000 
1 1 1 16 4  16 o 7.9860  0.2876 ?              ?         
1 1 1 16 4  17 f 13.890  0.1785 -0.2580000     0.3570000 
1 1 1 16 4  18 o 11.560  0.1965 -0.3876000E-01 0.3931000 
1 1 1 16 4  19 o 8.6750  0.2421 0.7190000E-01  0.4842000 
1 1 1 16 4  20 o 22.190  0.1732 -0.8562000     0.3465000 
1 1 1 16 4  21 o 7.6400  0.2893 1.008000       0.5786000 
1 1 1 16 4  22 o 16.040  0.1856 0.2592000      0.3712000 
1 1 1 16 4  23 o 34.800  0.1807 0.1013000      0.3614000 
1 1 1 16 4  24 o 4.8910  0.4808 -0.5689000     0.9615000 
1 1 1 16 4  25 o 8.9480  0.2753 0.5780000      0.5507000 
1 1 1 16 4  26 o 14.230  0.2069 -0.3543000     0.4138000 
1 1 1 16 4  27 o 11.870  0.2312 -0.5413000     0.4625000 
1 1 1 16 4  28 f 18.270  0.1635 -0.1137000     0.3270000 
1 1 1 16 4  29 o 13.450  0.1857 -0.6335000     0.3713000 
1 1 1 16 4  30 o 13.340  0.1878 -0.3310000     0.3755000 
1 1 1 16 4  31 o 26.410  0.1667 -0.4400000     0.3333000 
1 1 1 16 4  32 o 7.3340  0.2978 -0.5171000     0.5957000 
1 1 1 16 4  33 o 6.9150  0.3235 0.5815000      0.6470000 
1 1 1 16 4  34 o 12.490  0.2086 0.3457000      0.4172000 
1 1 1 16 4  35 o 26.950  0.1877 0.1921000E-02  0.3754000 
1 1 1 16 4  36 o 23.920  0.1859 0.1591000      0.3718000 
1 1 1 16 4  37 o 6.8930  0.3471 0.2310000      0.6942000 
1 1 1 16 4  38 o 21.240  0.2361 0.5944000      0.4723000 
1 1 1 16 4  39 o 11.610  0.3239 0.6291000      0.6477000 
1 1 1 16 4  40 o 5.4420  0.5739 1.897000       1.148000  
1 1 1 16 4  41 o 11.060  0.2128 0.6270000      0.4256000 
1 1 1 16 4  42 o 8.7530  0.2537 0.1943000      0.5074000 
1 1 1 16 4  43 o 2.0350  0.5992 0.1510000      1.198000  
1 1 1 16 4  44 f 6.1550  0.3515 -0.5748000     0.7030000 
1 1 1 16 4  45 o 6.5480  0.3993 0.6992000      0.7987000 
1 1 1 16 4  46 o 18.540  0.1920 -0.4192000     0.3840000 
1 1 1 16 4  47 o 5.6290  0.4222 0.6220000      0.8443000 
1 1 1 16 4  48 o 2.7450  0.6716 0.2980000      1.343000  
1 1 1 16 4  49 o 8.6800  0.2557 0.1430000      0.5115000 
1 1 1 16 4  50 o 6.6290  0.2854 0.4495000      0.5707000 
1 1 1 16 4  51 o 7.3640  0.2761 0.2525000      0.5522000 
1 1 1 16 4  52 o 6.9770  0.2684 -0.8025000     0.5368000 
1 1 1 16 4  53 o 1.7400  0.5284 0.3289000E-01  1.057000  
1 1 1 16 4  54 o 7.4200  0.2492 -0.2029000     0.4985000 
1 1 1 16 4  55 o 4.4960  0.3871 -0.5879000     0.7743000 
1 1 1 16 4  56 o 4.8350  0.3786 0.1096000      0.7573000 
1 1 1 16 4  57 f 2.7090  0.6118 1.097000       1.224000  
1 1 1 16 4  58 o 8.4540  0.2548 0.1141000      0.5096000 
1 1 1 16 4  59 o 6.1690  0.3013 1.378000       0.6027000 
1 1 1 16 4  60 o 9.9680  0.2134 0.6234000      0.4268000 
1 1 1 16 4  61 o 3.1990  0.5715 -0.8530000     1.143000  
1 1 1 16 4  62 o 5.6280  0.3353 0.2692000      0.6707000 
1 1 1 16 4  63 o 2.0400  0.5626 0.9182000      1.125000  
1 1 1 16 4  64 o 3.6930  0.5282 -0.7972000     1.056000  
1 1 1 16 4  65 o 2.4840  0.6211 0.1495000      1.242000  
1 1 1 16 4  66 f 4.6100  0.4570 1.144000       0.9140000 
1 1 1 16 4  67 o 7.1280  0.3082 0.2503000      0.6164000 
1 1 1 16 5  0  o 17.810  0.2452 0.000000       0.000000  
1 1 1 16 5  1  o 8.9340  0.2065 0.1366000      0.4131000 
1 1 1 16 5  2  o 19.830  0.1382 -0.1565000     0.2765000 
1 1 1 16 5  3  o 7.2350  0.2055 0.4025000      0.4111000 
1 1 1 16 5  4  o 8.0540  0.1798 0.2211000      0.3595000 
1 1 1 16 5  5  o 3.3420  0.4243 0.6431000      0.8487000 
1 1 1 16 5  6  o 1.5360  0.4701 -0.2522000     0.9401000 
1 1 1 16 5  7  o 11.550  0.1643 0.3909000E-01  0.3285000 
1 1 1 16 5  8  o 4.2840  0.3645 -0.2509000     0.7289000 
1 1 1 16 5  9  o 14.490  0.1901 -0.7329000     0.3803000 
1 1 1 16 5  10 o 17.500  0.1857 0.9021000E-01  0.3713000 
1 1 1 16 5  11 o 11.080  0.1745 0.3165000E-01  0.3489000 
1 1 1 16 5  12 o 13.930  0.1645 0.7097000      0.3290000 
1 1 1 16 5  13 o 16.550  0.1590 0.3958000      0.3180000 
1 1 1 16 5  14 o 7.8660  0.2319 0.8704000      0.4639000 
1 1 1 16 5  15 o 15.390  0.1503 0.1074000      0.3006000 
1 1 1 16 5  16 o 19.240  0.1675 0.4442000      0.3351000 
1 1 1 16 5  17 o 18.720  0.1686 -0.3826000     0.3372000 
1 1 1 16 5  18 o 18.010  0.1838 0.8290000      0.3675000 
1 1 1 16 5  19 o 25.120  0.1764 -0.4629000E-01 0.3528000 
1 1 1 16 5  20 o 8.5440  0.2580 -1.043000      0.5161000 
1 1 1 16 5  21 o 11.680  0.2129 -0.2245000E-01 0.4258000 
1 1 1 16 5  22 o 8.2480  0.2785 -1.436000      0.5570000 
1 1 1 16 5  23 o 12.810  0.2341 -0.4697000     0.4681000 
1 1 1 16 5  24 f 10.810  0.2395 0.3011000E-01  0.4790000 
1 1 1 16 5  25 o 3.0650  0.6479 1.373000       1.296000  
1 1 1 16 5  26 o 15.950  0.2000 0.8499000E-01  0.4000000 
1 1 1 16 5  27 o 22.610  0.1877 0.1976000      0.3753000 
1 1 1 16 5  28 o 12.770  0.1924 -0.1163000     0.3847000 
1 1 1 16 5  29 o 15.940  0.1728 -0.4544000E-01 0.3455000 
1 1 1 16 5  30 o 17.700  0.1682 -0.2962000     0.3364000 
1 1 1 16 5  31 o 20.390  0.1651 -0.2939000     0.3302000 
1 1 1 16 5  32 o 6.5310  0.3342 -0.3305000     0.6684000 
1 1 1 16 5  33 o 23.050  0.1669 -0.6206000     0.3337000 
1 1 1 16 5  34 o 7.4690  0.4858 ?              ?         
1 1 1 16 5  35 o 13.700  0.2093 -0.4141000     0.4185000 
1 1 1 16 5  36 o 11.670  0.2026 0.4883000      0.4052000 
1 1 1 16 5  37 o 5.5280  0.4644 -0.7426000     0.9287000 
1 1 1 16 5  38 o 10.010  0.2772 0.7858000      0.5545000 
1 1 1 16 5  39 o 13.260  0.2181 0.2117000      0.4362000 
1 1 1 16 5  40 o 9.3860  0.2667 -0.8407000E-01 0.5335000 
1 1 1 16 5  41 o 13.020  0.2100 -0.9146000     0.4200000 
1 1 1 16 5  42 o 3.0080  0.6465 0.5376000      1.293000  
1 1 1 16 5  43 o 8.9080  0.2489 0.6043000      0.4977000 
1 1 1 16 5  44 o 12.080  0.2101 0.1981000      0.4202000 
1 1 1 16 5  45 o 6.5140  0.3302 -0.7250000     0.6604000 
1 1 1 16 5  46 o 2.4290  0.6228 -1.164000      1.246000  
1 1 1 16 5  47 o 9.4720  0.2435 0.3937000E-01  0.4870000 
1 1 1 16 5  48 o 2.2990  0.6350 0.2303000      1.270000  
1 1 1 16 5  49 o 3.1570  0.5489 2.303000       1.098000  
1 1 1 16 5  50 o 3.2040  0.5789 -0.3390000     1.158000  
1 1 1 16 5  51 o 4.2090  0.5037 -1.150000      1.007000  
1 1 1 16 5  52 o 15.510  0.2042 -0.1575000     0.4084000 
1 1 1 16 5  53 o 4.2730  0.4342 -1.398000      0.8684000 
1 1 1 16 5  54 o 2.0000  0.5620 0.3344000      1.124000  
1 1 1 16 5  55 o 2.5060  0.5915 -0.1492000     1.183000  
1 1 1 16 5  56 o 1.8220  0.5603 0.1691000      1.121000  
1 1 1 16 5  57 o 5.8870  0.3452 -0.9149000     0.6904000 
1 1 1 16 5  58 o 4.7890  0.4016 1.045000       0.8033000 
1 1 1 16 5  59 o 3.3050  0.5715 0.5036000      1.143000  
1 1 1 16 5  60 o 6.1300  0.3080 -0.1429000E-01 0.6160000 
1 1 1 16 5  61 o 4.6020  0.4059 0.6588000      0.8118000 
1 1 1 16 5  62 o 5.0900  0.3653 0.1232000      0.7306000 
1 1 1 16 5  63 o 2.7700  0.6026 -0.5945000     1.205000  
1 1 1 16 5  64 o 4.1380  0.4916 0.7699000      0.9832000 
1 1 1 16 5  65 o 1.7830  0.5503 0.1318000      1.101000  
1 1 1 16 5  66 o 2.2520  0.6172 0.9804000E-02  1.234000  
1 1 1 16 6  0  o 12.240  0.2120 0.000000       0.000000  
1 1 1 16 6  1  o 4.3430  0.4101 -1.273000      0.8203000 
1 1 1 16 6  2  o 24.770  0.1465 -0.3697000     0.2930000 
1 1 1 16 6  3  o 7.1890  0.2673 -0.3748000     0.5346000 
1 1 1 16 6  4  o 25.390  0.1727 0.8565000E-01  0.3453000 
1 1 1 16 6  5  o 9.9520  0.1912 -0.4422000E-01 0.3823000 
1 1 1 16 6  6  o 13.250  0.1566 0.4906000      0.3132000 
1 1 1 16 6  7  o 15.570  0.1513 0.1915000      0.3027000 
1 1 1 16 6  8  o 20.010  0.1864 0.1612000      0.3728000 
1 1 1 16 6  9  o 8.1180  0.2257 0.3429000      0.4514000 
1 1 1 16 6  10 o 2.3080  0.5467 1.081000       1.093000  
1 1 1 16 6  11 o 2.9630  0.4982 0.4747000      0.9964000 
1 1 1 16 6  12 o 10.820  0.1848 0.6842000      0.3696000 
1 1 1 16 6  13 o 30.900  0.1812 0.4380000      0.3624000 
1 1 1 16 6  14 o 6.4830  0.2785 -1.267000      0.5571000 
1 1 1 16 6  15 o 5.0240  0.3280 0.1048000      0.6560000 
1 1 1 16 6  16 o 21.400  0.1465 -0.3434000     0.2930000 
1 1 1 16 6  17 o 2.8060  0.6116 -0.9292000E-01 1.223000  
1 1 1 16 6  18 o 18.850  0.1943 0.4239000      0.3885000 
1 1 1 16 6  19 f 2.0800  0.8724 ?              ?         
1 1 1 16 6  20 o 7.6880  0.3255 -0.9954000E-01 0.6509000 
1 1 1 16 6  21 o 16.820  0.2060 0.3745000      0.4120000 
1 1 1 16 6  22 o 15.540  0.1961 0.8567000E-01  0.3922000 
1 1 1 16 6  23 o 10.870  0.2404 0.2268000      0.4809000 
1 1 1 16 6  24 f 11.570  0.3055 ?              ?         
1 1 1 16 6  25 o 16.070  0.2016 0.1622000E-01  0.4033000 
1 1 1 16 6  26 o 12.540  0.2325 -0.5189000     0.4650000 
1 1 1 16 6  27 o 12.870  0.2011 0.6322000E-02  0.4021000 
1 1 1 16 6  28 o 26.260  0.1700 -0.4749000     0.3400000 
1 1 1 16 6  29 o 16.980  0.1495 0.1129000      0.2991000 
1 1 1 16 6  30 o 16.520  0.1613 -0.7018000     0.3226000 
1 1 1 16 6  31 o 6.8530  0.2910 -0.8440000     0.5819000 
1 1 1 16 6  32 o 6.8810  0.2953 -0.9342000     0.5905000 
1 1 1 16 6  33 o 20.870  0.1797 -0.4574000     0.3593000 
1 1 1 16 6  34 o 3.0940  0.6347 0.9103000      1.269000  
1 1 1 16 6  35 o 4.2560  0.4861 -0.2236000     0.9723000 
1 1 1 16 6  36 o 3.9060  0.5598 -3.725000      1.120000  
1 1 1 16 6  37 o 4.8660  0.4621 -1.156000      0.9241000 
1 1 1 16 6  38 o 2.3300  0.6205 0.4848000      1.241000  
1 1 1 16 6  39 o 7.2150  0.3213 -1.122000      0.6426000 
1 1 1 16 6  40 o 10.440  0.2786 -0.2843000     0.5573000 
1 1 1 16 6  41 o 5.8560  0.3716 -0.4950000     0.7433000 
1 1 1 16 6  42 o 7.7450  0.2942 -0.2931000     0.5885000 
1 1 1 16 6  43 o 6.1500  0.3575 -0.9639000     0.7150000 
1 1 1 16 6  44 o 9.3290  0.2305 -0.5687000     0.4610000 
1 1 1 16 6  45 o 5.7780  0.3432 -0.6913000     0.6863000 
1 1 1 16 6  46 o 11.550  0.1963 0.7129000E-01  0.3925000 
1 1 1 16 6  47 o 2.3990  0.6331 0.9377000      1.266000  
1 1 1 16 6  48 o 10.050  0.1875 0.5796000      0.3751000 
1 1 1 16 6  49 o 2.0360  0.5552 0.4397000      1.110000  
1 1 1 16 6  50 o 8.0040  0.2539 0.2861000E-01  0.5078000 
1 1 1 16 6  51 o 8.7020  0.2440 1.299000       0.4881000 
1 1 1 16 6  52 o 3.6120  0.5447 0.2354000      1.089000  
1 1 1 16 6  53 o 2.5790  0.5886 -0.7140000     1.177000  
1 1 1 16 6  54 o 8.8570  0.2953 -0.3805000     0.5906000 
1 1 1 16 6  55 o 5.3260  0.4871 -0.3883000     0.9742000 
1 1 1 16 6  56 o 7.3110  0.2813 -0.4155000     0.5627000 
1 1 1 16 6  57 o 4.8280  0.3654 0.4791000      0.7308000 
1 1 1 16 6  58 o 4.7190  0.3827 -0.1728000     0.7655000 
1 1 1 16 6  59 o 1.9330  0.5472 -0.8688000     1.094000  
1 1 1 16 6  60 o 4.3050  0.4627 1.430000       0.9254000 
1 1 1 16 6  61 o 2.3980  0.5940 0.3015000      1.188000  
1 1 1 16 6  62 o 6.9180  0.2778 -0.6610000E-01 0.5555000 
1 1 1 16 6  63 o 2.2110  0.5446 0.8774000      1.089000  
1 1 1 16 6  64 o 9.1740  0.2212 0.3215000      0.4424000 
1 1 1 16 6  65 o 2.2060  0.5908 -0.9377000     1.182000  
1 1 1 16 6  66 o 6.4670  0.3289 -0.1379000     0.6578000 
1 1 1 16 7  0  o 8.9000  0.2902 0.000000       0.000000  
1 1 1 16 7  1  o 13.470  0.1669 -0.2217000     0.3338000 
1 1 1 16 7  2  o 13.510  0.1692 -0.1643000     0.3383000 
1 1 1 16 7  3  o 6.1770  0.3277 0.4124000      0.6554000 
1 1 1 16 7  4  o 13.610  0.1993 -0.1119000     0.3987000 
1 1 1 16 7  5  o 6.3120  0.2760 0.6828000      0.5520000 
1 1 1 16 7  6  o 19.200  0.1549 0.2416000      0.3098000 
1 1 1 16 7  7  o 3.6020  0.4527 -0.1998000     0.9053000 
1 1 1 16 7  8  o 6.4570  0.2691 -0.4961000     0.5382000 
1 1 1 16 7  9  o 10.390  0.1870 -0.6989000E-02 0.3740000 
1 1 1 16 7  10 o 7.7180  0.2100 -0.9055000     0.4200000 
1 1 1 16 7  11 o 10.110  0.1922 0.4883000E-01  0.3843000 
1 1 1 16 7  12 o 4.3310  0.3944 -0.9949000     0.7889000 
1 1 1 16 7  13 o 9.8100  0.1997 -0.6648000     0.3993000 
1 1 1 16 7  14 o 26.300  0.1539 -0.7006000     0.3078000 
1 1 1 16 7  15 o 12.160  0.1677 0.3565000      0.3354000 
1 1 1 16 7  16 o 6.6600  0.2662 0.3081000      0.5325000 
1 1 1 16 7  17 o 28.320  0.1843 0.3549000      0.3686000 
1 1 1 16 7  18 o 31.310  0.1926 -0.2207000E-01 0.3852000 
1 1 1 16 7  19 o 12.780  0.3343 ?              ?         
1 1 1 16 7  20 o 11.820  0.2465 -0.1552000     0.4930000 
1 1 1 16 7  21 o 19.210  0.1514 -0.6347000E-01 0.3027000 
1 1 1 16 7  22 o 14.690  0.1626 -0.6447000E-01 0.3252000 
1 1 1 16 7  23 o 7.6860  0.2511 -0.3663000     0.5021000 
1 1 1 16 7  24 o 22.910  0.1517 0.4385000      0.3033000 
1 1 1 16 7  25 o 19.920  0.1806 0.6200000      0.3612000 
1 1 1 16 7  26 o 19.050  0.1566 -0.1517000     0.3133000 
1 1 1 16 7  27 o 2.5820  0.6098 0.7674000      1.220000  
1 1 1 16 7  28 o 19.160  0.1597 0.1924000      0.3193000 
1 1 1 16 7  29 o 18.740  0.1456 -0.1749000     0.2911000 
1 1 1 16 7  30 o 2.5230  0.5758 0.5440000      1.152000  
1 1 1 16 7  31 o 11.620  0.1819 0.8240000E-01  0.3637000 
1 1 1 16 7  32 o 4.2140  0.6112 2.512000       1.222000  
1 1 1 16 7  33 o 16.730  0.2098 -0.8635000     0.4195000 
1 1 1 16 7  34 o 2.6870  0.5612 1.622000       1.122000  
1 1 1 16 7  35 o 13.090  0.2329 0.8233000      0.4657000 
1 1 1 16 7  36 o 2.0960  0.6212 -0.2739000     1.242000  
1 1 1 16 7  37 o 3.2450  0.5706 1.367000       1.141000  
1 1 1 16 7  38 o 3.8610  0.6314 -0.2061000     1.263000  
1 1 1 16 7  39 o 3.0850  0.6403 -0.6675000     1.281000  
1 1 1 16 7  40 o 6.8610  0.3420 -0.5929000     0.6841000 
1 1 1 16 7  41 o 5.7850  0.3554 0.2993000      0.7108000 
1 1 1 16 7  42 o 8.0850  0.2581 -0.5795000     0.5162000 
1 1 1 16 7  43 o 9.7380  0.2270 0.3945000      0.4540000 
1 1 1 16 7  44 o 5.2620  0.3832 0.3555000      0.7664000 
1 1 1 16 7  45 o 10.580  0.2062 -0.4746000     0.4123000 
1 1 1 16 7  46 o 2.2570  0.5758 -1.567000      1.152000  
1 1 1 16 7  47 o 5.6440  0.3469 -0.3142000     0.6938000 
1 1 1 16 7  48 o 4.6780  0.4355 0.9353000      0.8710000 
1 1 1 16 7  49 o 1.9350  0.5606 0.4220000      1.121000  
1 1 1 16 7  50 o 1.8800  0.5336 -0.1098000     1.067000  
1 1 1 16 7  51 o 2.0050  0.5245 -0.8192000     1.049000  
1 1 1 16 7  52 f 5.1560  0.3215 -0.2841000     0.6430000 
1 1 1 16 7  53 o 1.6470  0.5077 -0.1998000     1.015000  
1 1 1 16 7  54 o 3.0800  0.6527 -0.5211000     1.305000  
1 1 1 16 7  55 f 8.1610  0.2733 -0.4185000     0.5465000 
1 1 1 16 7  56 o 5.4680  0.3830 0.5026000      0.7661000 
1 1 1 16 7  57 o 3.1720  0.6155 -0.4498000     1.231000  
1 1 1 16 7  58 o 1.9890  0.5898 0.5072000      1.180000  
1 1 1 16 7  59 o 2.2380  0.5941 -0.4550000     1.188000  
1 1 1 16 7  60 o 5.0300  0.3729 0.3418000      0.7459000 
1 1 1 16 7  61 o 3.7340  0.5097 0.4383000      1.019000  
1 1 1 16 7  62 o 3.6050  0.5132 -0.5458000     1.026000  
1 1 1 16 7  63 o 2.5790  0.5956 0.2710000      1.191000  
1 1 1 16 7  64 o 5.0640  0.3958 0.3457000      0.7916000 
1 1 1 16 7  65 o 5.2010  0.4138 -0.4466000     0.8276000 
1 1 1 16 7  66 o 3.9830  0.5419 -0.2479000     1.084000  
1 1 1 16 8  0  o 7.9900  0.3178 0.000000       0.000000  
1 1 1 16 8  1  o 11.280  0.1728 0.3357000      0.3455000 
1 1 1 16 8  2  o 11.260  0.1741 -0.3442000     0.3481000 
1 1 1 16 8  3  o 24.510  0.1610 0.5125000E-01  0.3221000 
1 1 1 16 8  4  o 9.1940  0.2246 0.2886000      0.4492000 
1 1 1 16 8  5  o 20.870  0.1572 0.2910000      0.3144000 
1 1 1 16 8  6  o 18.110  0.1865 0.3258000      0.3730000 
1 1 1 16 8  7  o 11.830  0.1935 -0.1033000     0.3870000 
1 1 1 16 8  8  o 5.7350  0.3264 -0.9977000     0.6528000 
1 1 1 16 8  9  o 21.960  0.1748 -0.3585000     0.3495000 
1 1 1 16 8  10 o 5.6780  0.3089 -0.8879000     0.6177000 
1 1 1 16 8  11 o 17.870  0.1478 -0.1178000     0.2957000 
1 1 1 16 8  12 o 22.630  0.1483 0.4220000      0.2965000 
1 1 1 16 8  13 o 2.3750  0.4867 1.732000       0.9735000 
1 1 1 16 8  14 o 23.880  0.1426 0.3948000      0.2852000 
1 1 1 16 8  15 o 8.3580  0.2097 0.7468000      0.4194000 
1 1 1 16 8  16 o 12.340  0.1986 -0.4279000     0.3973000 
1 1 1 16 8  17 o 19.060  0.1709 0.7260000      0.3419000 
1 1 1 16 8  18 o 2.9030  0.6260 -0.1557000     1.252000  
1 1 1 16 8  19 o 18.660  0.1460 -0.4172000     0.2919000 
1 1 1 16 8  20 o 19.940  0.1502 -0.4223000     0.3005000 
1 1 1 16 8  21 o 9.0180  0.2228 0.5882000      0.4456000 
1 1 1 16 8  22 o 16.610  0.1574 -0.4866000     0.3147000 
1 1 1 16 8  23 o 3.5490  0.5362 0.6884000E-01  1.072000  
1 1 1 16 8  24 o 13.680  0.1731 -1.017000      0.3463000 
1 1 1 16 8  25 o 6.7530  0.3258 -1.691000      0.6516000 
1 1 1 16 8  26 o 16.790  0.1632 0.1791000      0.3263000 
1 1 1 16 8  27 o 16.920  0.1781 0.2330000      0.3562000 
1 1 1 16 8  28 o 7.4870  0.3002 -0.4629000     0.6004000 
1 1 1 16 8  29 o 8.6310  0.2556 0.5456000      0.5112000 
1 1 1 16 8  30 o 9.1680  0.2360 -0.6411000     0.4721000 
1 1 1 16 8  31 f 21.320  0.1888 0.7280000      0.3775000 
1 1 1 16 8  32 o 11.040  0.2471 -0.4490000     0.4942000 
1 1 1 16 8  33 o 4.0170  0.5648 0.9614000      1.130000  
1 1 1 16 8  34 o 7.8650  0.2844 0.5158000      0.5688000 
1 1 1 16 8  35 o 12.340  0.2013 0.5551000E-01  0.4027000 
1 1 1 16 8  36 o 17.660  0.1557 0.3139000      0.3115000 
1 1 1 16 8  37 o 10.290  0.2048 -0.3031000     0.4096000 
1 1 1 16 8  38 o 5.2830  0.4339 0.5518000      0.8679000 
1 1 1 16 8  39 o 8.5990  0.2582 -1.199000      0.5165000 
1 1 1 16 8  40 o 9.6980  0.2256 0.3610000      0.4511000 
1 1 1 16 8  41 o 18.330  0.1619 0.1486000      0.3238000 
1 1 1 16 8  42 o 6.6110  0.3049 -0.5823000     0.6098000 
1 1 1 16 8  43 o 7.2070  0.2881 0.4652000      0.5762000 
1 1 1 16 8  44 o 10.910  0.2012 0.7430000E-01  0.4024000 
1 1 1 16 8  45 o 8.0540  0.3052 -0.6426000     0.6103000 
1 1 1 16 8  46 o 7.5160  0.2681 0.4684000      0.5363000 
1 1 1 16 8  47 o 6.1260  0.3236 0.1357000      0.6472000 
1 1 1 16 8  48 o 9.0140  0.2707 -0.2296000     0.5413000 
1 1 1 16 8  49 o 9.8160  0.2524 0.7821000      0.5048000 
1 1 1 16 8  50 o 2.2200  0.6248 0.6455000      1.250000  
1 1 1 16 8  51 o 6.5900  0.3004 0.4023000      0.6007000 
1 1 1 16 8  52 o 6.6180  0.3164 -0.7810000     0.6329000 
1 1 1 16 8  53 o 3.9470  0.5932 -1.213000      1.186000  
1 1 1 16 8  54 o 4.9890  0.5378 -1.587000      1.076000  
1 1 1 16 8  55 o 5.9660  0.3444 0.2313000      0.6888000 
1 1 1 16 8  56 o 8.4710  0.3028 1.050000       0.6056000 
1 1 1 16 8  57 o 4.0870  0.5280 0.7521000      1.056000  
1 1 1 16 8  58 o 1.9600  0.5845 0.3173000      1.169000  
1 1 1 16 8  59 o 1.7870  0.5553 -0.2087000     1.111000  
1 1 1 16 8  60 o 11.440  0.1858 0.6411000      0.3715000 
1 1 1 16 8  61 o 2.2560  0.5964 0.3871000      1.193000  
1 1 1 16 8  62 o 1.9110  0.5717 0.3821000E-01  1.143000  
1 1 1 16 8  63 o 1.5760  0.5066 -0.3156000     1.013000  
1 1 1 16 8  64 o 1.7960  0.5587 0.4174000      1.117000  
1 1 1 16 8  65 o 3.7080  0.5827 -0.5528000     1.165000  
1 1 1 16 9  0  o 4.8140  0.4532 0.000000       0.000000  
1 1 1 16 9  1  o 35.910  0.1751 -0.5194000     0.3503000 
1 1 1 16 9  2  o 7.8660  0.2079 0.1284000E-01  0.4158000 
1 1 1 16 9  3  o 13.870  0.1424 -0.1852000     0.2847000 
1 1 1 16 9  4  o 9.8500  0.1810 -0.9025000E-01 0.3620000 
1 1 1 16 9  5  o 18.590  0.1451 -0.8766000E-01 0.2902000 
1 1 1 16 9  6  o 11.870  0.1900 0.7048000E-01  0.3801000 
1 1 1 16 9  7  o 9.9710  0.2277 -0.3753000     0.4554000 
1 1 1 16 9  8  o 33.990  0.3025 ?              ?         
1 1 1 16 9  9  o 17.040  0.1631 0.4172000      0.3262000 
1 1 1 16 9  10 o 10.290  0.2053 0.6958000      0.4106000 
1 1 1 16 9  11 o 25.750  0.1713 0.1370000      0.3425000 
1 1 1 16 9  12 o 8.6000  0.2170 -0.2684000     0.4340000 
1 1 1 16 9  13 o 12.610  0.1590 0.2218000      0.3180000 
1 1 1 16 9  14 o 10.760  0.1765 -0.3576000     0.3531000 
1 1 1 16 9  15 o 11.320  0.2130 0.2351000      0.4260000 
1 1 1 16 9  16 o 12.690  0.2030 0.2079000      0.4061000 
1 1 1 16 9  17 o 5.4090  0.3929 1.242000       0.7858000 
1 1 1 16 9  18 o 17.670  0.1470 -0.1388000     0.2941000 
1 1 1 16 9  19 o 6.2270  0.2830 -0.4025000     0.5661000 
1 1 1 16 9  20 o 9.2130  0.2398 0.2151000      0.4797000 
1 1 1 16 9  21 o 18.760  0.1668 0.1453000      0.3336000 
1 1 1 16 9  22 o 14.200  0.1834 -0.3685000     0.3668000 
1 1 1 16 9  23 f 25.460  0.1686 0.7545000E-01  0.3373000 
1 1 1 16 9  24 o 14.170  0.1871 -0.2315000     0.3743000 
1 1 1 16 9  25 o 12.250  0.2035 -0.1559000E-01 0.4070000 
1 1 1 16 9  26 o 18.300  0.1606 0.5142000      0.3213000 
1 1 1 16 9  27 o 11.640  0.1980 0.1636000      0.3960000 
1 1 1 16 9  28 o 2.8890  0.6096 -1.090000      1.219000  
1 1 1 16 9  29 o 11.470  0.1835 0.3099000      0.3669000 
1 1 1 16 9  30 o 12.410  0.1799 0.5013000      0.3598000 
1 1 1 16 9  31 o 17.100  0.2003 -0.4636000     0.4006000 
1 1 1 16 9  32 o 7.6640  0.2784 -0.2451000     0.5567000 
1 1 1 16 9  33 o 17.840  0.1882 0.1162000      0.3764000 
1 1 1 16 9  34 f 12.900  0.2106 -0.8464000E-01 0.4212000 
1 1 1 16 9  35 o 17.760  0.1645 0.2513000      0.3291000 
1 1 1 16 9  36 o 4.7060  0.4944 1.460000       0.9889000 
1 1 1 16 9  37 o 5.7530  0.4763 1.916000       0.9525000 
1 1 1 16 9  38 o 18.540  0.2025 -0.1819000     0.4050000 
1 1 1 16 9  39 o 17.400  0.2368 -0.8279000E-01 0.4736000 
1 1 1 16 9  40 o 4.7920  0.5335 0.8952000      1.067000  
1 1 1 16 9  41 f 9.8220  0.2971 0.7074000      0.5943000 
1 1 1 16 9  42 o 11.080  0.2680 0.1773000      0.5360000 
1 1 1 16 9  43 o 12.940  0.2400 0.2936000      0.4800000 
1 1 1 16 9  44 o 8.1770  0.3009 0.1533000      0.6018000 
1 1 1 16 9  45 o 3.3310  0.6544 -0.2594000E-01 1.309000  
1 1 1 16 9  46 o 9.7210  0.2620 0.5512000      0.5241000 
1 1 1 16 9  47 o 9.7820  0.2618 0.4616000      0.5235000 
1 1 1 16 9  48 o 4.6480  0.5019 -0.4161000     1.004000  
1 1 1 16 9  49 o 4.4050  0.5321 0.2175000      1.064000  
1 1 1 16 9  50 o 10.280  0.2474 0.3153000      0.4947000 
1 1 1 16 9  51 o 4.6290  0.5023 0.2541000      1.005000  
1 1 1 16 9  52 o 9.8890  0.3073 0.5939000      0.6146000 
1 1 1 16 9  53 o 5.4630  0.4307 0.6107000      0.8614000 
1 1 1 16 9  54 o 4.7480  0.3293 1.079000       0.6586000 
1 1 1 16 9  55 o 10.520  0.1774 -0.2218000     0.3548000 
1 1 1 16 9  56 o 15.330  0.1521 0.4908000      0.3042000 
1 1 1 16 9  57 o 2.2050  0.5448 -0.4327000     1.090000  
1 1 1 16 9  58 o 3.8330  0.4716 -2.854000      0.9432000 
1 1 1 16 9  59 o 2.3460  0.5816 -0.5877000E-01 1.163000  
1 1 1 16 9  60 o 5.7280  0.4257 0.5857000      0.8514000 
1 1 1 16 9  61 o 3.3030  0.6125 -0.4943000     1.225000  
1 1 1 16 9  62 o 6.5090  0.3076 0.2640000      0.6153000 
1 1 1 16 9  63 o 2.0900  0.5710 -0.8566000     1.142000  
1 1 1 16 9  64 o 7.4460  0.2780 0.8089000E-01  0.5561000 
1 1 1 16 9  65 o 2.3340  0.6145 0.4644000      1.229000  
1 1 1 16 10 0  o 8.7440  0.3258 0.000000       0.000000  
1 1 1 16 10 1  o 10.480  0.1760 0.1862000      0.3520000 
1 1 1 16 10 2  o 12.420  0.1592 -0.3100000     0.3185000 
1 1 1 16 10 3  o 14.500  0.1507 0.5930000      0.3014000 
1 1 1 16 10 4  o 19.220  0.1428 0.1005000      0.2856000 
1 1 1 16 10 5  o 3.5160  0.4716 2.717000       0.9431000 
1 1 1 16 10 6  o 31.720  0.1676 0.6011000      0.3351000 
1 1 1 16 10 7  o 2.9280  0.5862 -0.6224000     1.172000  
1 1 1 16 10 8  o 7.2590  0.2674 1.327000       0.5349000 
1 1 1 16 10 9  o 23.300  0.1885 -0.1408000     0.3770000 
1 1 1 16 10 10 o 17.960  0.1573 0.2037000      0.3147000 
1 1 1 16 10 11 o 7.6180  0.2395 0.4650000      0.4789000 
1 1 1 16 10 12 o 39.930  0.1816 -0.2965000     0.3632000 
1 1 1 16 10 13 o 13.740  0.1605 0.3255000      0.3210000 
1 1 1 16 10 14 o 20.720  0.1460 -0.3357000     0.2921000 
1 1 1 16 10 15 o 16.880  0.1931 -0.8144000E-01 0.3862000 
1 1 1 16 10 16 o 15.530  0.1918 0.4287000      0.3835000 
1 1 1 16 10 17 o 3.6260  0.5099 -1.411000      1.020000  
1 1 1 16 10 18 o 19.850  0.1337 -0.4353000     0.2673000 
1 1 1 16 10 19 o 7.2850  0.2872 -0.4495000     0.5744000 
1 1 1 16 10 20 o 5.5400  0.3284 -0.9966000E-02 0.6569000 
1 1 1 16 10 21 o 22.370  0.1421 -0.9136000E-01 0.2843000 
1 1 1 16 10 22 o 11.040  0.1608 -0.2010000     0.3215000 
1 1 1 16 10 23 f 19.290  0.1431 0.1460000      0.2862000 
1 1 1 16 10 24 o 8.4570  0.2233 0.1149000E-02  0.4466000 
1 1 1 16 10 25 o 4.5540  0.4473 0.9801000      0.8946000 
1 1 1 16 10 26 o 5.3990  0.3705 -0.2873000     0.7409000 
1 1 1 16 10 27 o 14.830  0.1728 0.4795000      0.3456000 
1 1 1 16 10 28 o 10.730  0.2077 -0.6023000     0.4154000 
1 1 1 16 10 29 o 8.0900  0.2767 0.5833000E-01  0.5534000 
1 1 1 16 10 30 f 11.410  0.2752 0.1338000      0.5504000 
1 1 1 16 10 31 o 8.4220  0.4735 ?              ?         
1 1 1 16 10 32 o 1.7330  0.5623 -0.5126000     1.125000  
1 1 1 16 10 33 o 14.650  0.1917 -0.3028000E-01 0.3835000 
1 1 1 16 10 34 o 4.1190  0.5252 0.5823000E-01  1.050000  
1 1 1 16 10 35 o 4.9880  0.4095 -0.3577000     0.8189000 
1 1 1 16 10 36 o 9.1630  0.2427 0.7179000E-01  0.4854000 
1 1 1 16 10 37 o 7.5690  0.3725 -1.418000      0.7449000 
1 1 1 16 10 38 o 3.2560  0.6524 -0.2284000     1.305000  
1 1 1 16 10 39 o 6.5260  0.3737 0.5004000      0.7474000 
1 1 1 16 10 40 o 4.0060  0.5435 1.745000       1.087000  
1 1 1 16 10 41 o 14.120  0.2307 0.4334000      0.4614000 
1 1 1 16 10 42 o 5.7160  0.4807 -0.8482000     0.9614000 
1 1 1 16 10 43 o 10.280  0.2823 -0.2918000     0.5646000 
1 1 1 16 10 44 o 3.8900  0.5989 -1.525000      1.198000  
1 1 1 16 10 45 o 4.3560  0.5495 0.6384000      1.099000  
1 1 1 16 10 46 o 5.0740  0.4741 -0.4525000     0.9482000 
1 1 1 16 10 47 o 7.7720  0.3165 0.1047000      0.6329000 
1 1 1 16 10 48 o 5.9250  0.3994 0.1899000      0.7988000 
1 1 1 16 10 49 o 5.9620  0.3894 0.3432000      0.7788000 
1 1 1 16 10 50 o 3.6400  0.5239 1.017000       1.048000  
1 1 1 16 10 51 o 4.8930  0.4507 0.5273000      0.9014000 
1 1 1 16 10 52 o 5.7110  0.3785 -0.5281000E-01 0.7570000 
1 1 1 16 10 53 o 4.5840  0.5182 1.354000       1.036000  
1 1 1 16 10 54 o 2.1330  0.5870 0.1918000      1.174000  
1 1 1 16 10 55 o 2.4280  0.6245 0.7267000E-01  1.249000  
1 1 1 16 10 56 o 3.4810  0.6127 0.5379000      1.225000  
1 1 1 16 10 57 o 2.2670  0.5425 0.9031000      1.085000  
1 1 1 16 10 58 o 1.8400  0.5280 0.4352000      1.056000  
1 1 1 16 10 59 o 2.5880  0.5692 1.215000       1.138000  
1 1 1 16 10 60 o 5.4620  0.3370 -1.353000      0.6741000 
1 1 1 16 10 61 o 2.9450  0.5860 -1.125000      1.172000  
1 1 1 16 10 62 o 7.6130  0.2443 0.3825000      0.4885000 
1 1 1 16 10 63 o 5.4760  0.4234 0.9208000      0.8467000 
1 1 1 16 10 64 o 4.5720  0.5486 -0.6984000     1.097000  
1 1 1 16 11 0  o 3.6940  0.7313 0.000000       0.000000  
1 1 1 16 11 1  o 17.170  0.1506 -0.2422000     0.3013000 
1 1 1 16 11 2  o 28.090  0.1572 0.2342000E-01  0.3143000 
1 1 1 16 11 3  o 6.3450  0.2812 0.8729000      0.5625000 
1 1 1 16 11 4  o 9.4390  0.2010 -0.2944000     0.4020000 
1 1 1 16 11 5  o 8.0560  0.2525 -0.1884000     0.5051000 
1 1 1 16 11 6  o 13.640  0.1804 -0.9937000E-01 0.3608000 
1 1 1 16 11 7  o 18.640  0.1597 0.3536000      0.3195000 
1 1 1 16 11 8  o 19.260  0.1597 -0.2673000     0.3193000 
1 1 1 16 11 9  o 6.6060  0.3055 0.7283000      0.6109000 
1 1 1 16 11 10 o 4.7270  0.4382 -2.056000      0.8764000 
1 1 1 16 11 11 o 20.430  0.1624 0.8578000E-01  0.3249000 
1 1 1 16 11 12 o 21.650  0.1485 -0.2889000     0.2970000 
1 1 1 16 11 13 o 25.540  0.1520 -0.1883000     0.3039000 
1 1 1 16 11 14 o 30.220  0.1599 -0.5421000     0.3198000 
1 1 1 16 11 15 o 27.560  0.1946 -0.1038000     0.3892000 
1 1 1 16 11 16 o 23.050  0.1886 0.1977000      0.3773000 
1 1 1 16 11 17 o 15.410  0.1680 -0.1778000     0.3360000 
1 1 1 16 11 18 o 9.7230  0.1793 1.040000       0.3586000 
1 1 1 16 11 19 o 28.960  0.1505 0.6718000      0.3011000 
1 1 1 16 11 20 o 14.180  0.1625 -0.5746000     0.3250000 
1 1 1 16 11 21 o 12.720  0.1739 0.5164000      0.3477000 
1 1 1 16 11 22 o 7.5320  0.2141 0.1622000      0.4282000 
1 1 1 16 11 23 o 4.9070  0.3138 -0.3986000     0.6276000 
1 1 1 16 11 24 o 9.5510  0.2069 -0.5075000E-01 0.4138000 
1 1 1 16 11 25 o 12.470  0.1744 0.5706000      0.3488000 
1 1 1 16 11 26 o 9.9400  0.2256 0.5883000      0.4513000 
1 1 1 16 11 27 o 8.1770  0.2572 -0.5291000     0.5144000 
1 1 1 16 11 28 o 2.9860  0.7080 -0.2137000     1.416000  
1 1 1 16 11 29 o 12.650  0.2151 -0.5830000     0.4303000 
1 1 1 16 11 30 o 4.5280  0.4904 0.9697000      0.9808000 
1 1 1 16 11 31 o 8.4100  0.2757 0.4663000      0.5515000 
1 1 1 16 11 32 o 4.2000  0.5494 1.280000       1.099000  
1 1 1 16 11 33 f 19.050  0.1630 0.2053000      0.3260000 
1 1 1 16 11 34 o 10.020  0.2198 0.4526000      0.4396000 
1 1 1 16 11 35 o 5.2410  0.3872 -0.1889000E-01 0.7745000 
1 1 1 16 11 36 o 3.5240  0.6029 -0.5465000     1.206000  
1 1 1 16 11 37 o 8.1350  0.2879 -0.6957000     0.5759000 
1 1 1 16 11 38 o 10.130  0.2493 0.7417000      0.4985000 
1 1 1 16 11 39 o 11.100  0.2051 -0.1061000     0.4102000 
1 1 1 16 11 40 o 3.0050  0.6238 -0.4459000     1.248000  
1 1 1 16 11 41 o 4.9940  0.5351 0.6996000      1.070000  
1 1 1 16 11 42 o 3.4310  0.5518 1.481000       1.104000  
1 1 1 16 11 43 o 6.2870  0.3155 0.9700000E-01  0.6310000 
1 1 1 16 11 44 o 2.5720  0.6105 -0.7034000     1.221000  
1 1 1 16 11 45 f 2.9690  0.6517 -0.9613000     1.303000  
1 1 1 16 11 46 o 7.9720  0.3092 0.7804000      0.6184000 
1 1 1 16 11 47 o 13.200  0.1767 -0.3533000     0.3533000 
1 1 1 16 11 48 o 6.2270  0.2978 -0.4907000     0.5957000 
1 1 1 16 11 49 o 10.210  0.2116 0.7344000      0.4232000 
1 1 1 16 11 50 o 5.1050  0.4053 -0.6897000     0.8105000 
1 1 1 16 11 51 o 11.480  0.2229 0.4889000      0.4458000 
1 1 1 16 11 52 o 2.4920  0.6170 -0.8749000     1.234000  
1 1 1 16 11 53 o 1.7130  0.5422 -0.2941000     1.084000  
1 1 1 16 11 54 o 8.2630  0.2454 -0.2895000     0.4908000 
1 1 1 16 11 55 o 3.1200  0.5168 1.782000       1.034000  
1 1 1 16 11 56 o 5.5210  0.2664 0.1322000      0.5328000 
1 1 1 16 11 57 o 9.2560  0.2460 0.7518000E-01  0.4921000 
1 1 1 16 11 58 o 2.0260  0.5816 0.8079000E-01  1.163000  
1 1 1 16 11 59 o 3.8710  0.5461 -0.6181000     1.092000  
1 1 1 16 11 60 o 2.1550  0.6162 0.8729000      1.232000  
1 1 1 16 11 61 o 3.1880  0.5425 -0.9552000E-01 1.085000  
1 1 1 16 11 62 o 2.5550  0.5830 0.8562000      1.166000  
1 1 1 16 11 63 o 3.9510  0.4718 -0.1556000     0.9436000 
1 1 1 16 11 64 o 3.5510  0.5537 0.9725000      1.107000  
1 1 1 16 12 0  o 16.050  0.2293 0.000000       0.000000  
1 1 1 16 12 1  o 29.040  0.1628 -0.1180000     0.3256000 
1 1 1 16 12 2  o 15.790  0.1627 0.8565000E-02  0.3254000 
1 1 1 16 12 3  o 29.120  0.1632 -0.3333000     0.3265000 
1 1 1 16 12 4  o 11.380  0.2145 -0.3924000     0.4289000 
1 1 1 16 12 5  o 12.670  0.2157 -0.6140000     0.4314000 
1 1 1 16 12 6  o 23.470  0.1876 0.1049000      0.3752000 
1 1 1 16 12 7  o 27.620  0.1786 -0.3658000     0.3572000 
1 1 1 16 12 8  o 27.990  0.1719 0.1037000      0.3438000 
1 1 1 16 12 9  o 14.700  0.1767 -0.7382000E-01 0.3534000 
1 1 1 16 12 10 o 14.590  0.2264 -1.735000      0.4527000 
1 1 1 16 12 11 o 4.6650  0.4613 0.7711000      0.9227000 
1 1 1 16 12 12 o 23.410  0.1926 0.3273000E-01  0.3851000 
1 1 1 16 12 13 o 16.500  0.1577 -0.9134000E-01 0.3154000 
1 1 1 16 12 14 f 14.600  0.1627 -0.2891000     0.3254000 
1 1 1 16 12 15 o 7.8720  0.2659 -0.3742000     0.5319000 
1 1 1 16 12 16 o 5.5610  0.4667 -0.1102000     0.9334000 
1 1 1 16 12 17 o 20.760  0.1926 -0.1970000     0.3853000 
1 1 1 16 12 18 o 16.300  0.1512 -0.1142000     0.3024000 
1 1 1 16 12 19 o 3.2820  0.6119 -1.053000      1.224000  
1 1 1 16 12 20 o 12.710  0.2005 -0.1336000     0.4010000 
1 1 1 16 12 21 o 12.810  0.1501 0.7691000E-01  0.3002000 
1 1 1 16 12 22 o 11.410  0.1580 0.3627000      0.3159000 
1 1 1 16 12 23 o 2.6420  0.5507 -1.128000      1.101000  
1 1 1 16 12 24 o 16.380  0.1333 -0.2289000     0.2666000 
1 1 1 16 12 25 o 13.210  0.1433 0.9609000E-01  0.2865000 
1 1 1 16 12 26 o 4.3640  0.4981 0.6213000      0.9961000 
1 1 1 16 12 27 o 14.900  0.2355 0.2232000E-01  0.4710000 
1 1 1 16 12 28 o 10.920  0.2451 -0.1620000     0.4902000 
1 1 1 16 12 29 o 15.030  0.1751 -0.3392000     0.3503000 
1 1 1 16 12 30 o 10.280  0.2379 0.3939000      0.4757000 
1 1 1 16 12 31 o 11.520  0.2134 -0.3526000     0.4269000 
1 1 1 16 12 32 o 6.5770  0.3223 0.9599000      0.6446000 
1 1 1 16 12 33 o 11.300  0.2004 0.1768000      0.4008000 
1 1 1 16 12 34 o 5.4020  0.4199 1.570000       0.8398000 
1 1 1 16 12 35 o 9.9440  0.2442 -0.5857000     0.4883000 
1 1 1 16 12 36 o 20.300  0.1761 0.5358000      0.3522000 
1 1 1 16 12 37 o 3.0370  0.5919 0.4191000      1.184000  
1 1 1 16 12 38 o 8.7370  0.2598 -0.4091000     0.5196000 
1 1 1 16 12 39 o 4.8460  0.5311 0.9966000      1.062000  
1 1 1 16 12 40 o 10.010  0.2052 -0.2336000     0.4103000 
1 1 1 16 12 41 o 8.6930  0.2339 0.6239000      0.4677000 
1 1 1 16 12 42 o 6.0020  0.3261 0.3915000      0.6521000 
1 1 1 16 12 43 o 6.4910  0.2713 -0.3533000E-01 0.5427000 
1 1 1 16 12 44 o 5.7350  0.2990 -0.7508000E-02 0.5979000 
1 1 1 16 12 45 o 2.2550  0.5308 -0.8189000E-01 1.062000  
1 1 1 16 12 46 o 5.0820  0.3248 -0.7040000     0.6496000 
1 1 1 16 12 47 o 7.5400  0.2491 1.008000       0.4983000 
1 1 1 16 12 48 o 7.2200  0.2661 -0.3257000     0.5323000 
1 1 1 16 12 49 o 2.7210  0.5749 0.6391000      1.150000  
1 1 1 16 12 50 o 8.4210  0.2460 0.8989000      0.4919000 
1 1 1 16 12 51 o 6.0560  0.3321 -0.2517000E-01 0.6642000 
1 1 1 16 12 52 o 9.5810  0.2693 0.7125000      0.5386000 
1 1 1 16 12 53 o 7.0020  0.2969 0.2324000E-01  0.5939000 
1 1 1 16 12 54 o 2.4970  0.5886 0.1980000      1.177000  
1 1 1 16 12 55 f 6.2580  0.3194 1.175000       0.6387000 
1 1 1 16 12 56 o 3.4360  0.5296 -0.1609000     1.059000  
1 1 1 16 12 57 o 2.8280  0.4752 -0.8029000     0.9503000 
1 1 1 16 12 58 o 4.4930  0.3114 0.5392000      0.6228000 
1 1 1 16 12 59 o 4.6180  0.3194 0.2904000      0.6389000 
1 1 1 16 12 60 o 7.2400  0.2258 0.4179000E-01  0.4515000 
1 1 1 16 12 61 o 3.5560  0.5794 1.586000       1.159000  
1 1 1 16 12 62 o 2.6280  0.6617 -0.6663000E-01 1.323000  
1 1 1 16 12 63 o 1.8010  0.5613 -0.2580000     1.123000  
1 1 1 16 13 0  o 6.9970  0.4495 0.000000       0.000000  
1 1 1 16 13 1  o 7.8860  0.2850 -0.3660000     0.5700000 
1 1 1 16 13 2  o 19.600  0.1651 0.7660000E-01  0.3302000 
1 1 1 16 13 3  o 23.010  0.1800 0.3333000      0.3600000 
1 1 1 16 13 4  o 20.240  0.1953 -0.5837000     0.3906000 
1 1 1 16 13 5  o 8.6620  0.3048 0.7320000      0.6096000 
1 1 1 16 13 6  o 22.130  0.1753 0.2238000      0.3506000 
1 1 1 16 13 7  o 7.9000  0.2949 0.4960000      0.5899000 
1 1 1 16 13 8  o 13.570  0.2199 0.3123000      0.4397000 
1 1 1 16 13 9  o 7.4430  0.2729 -0.8187000     0.5457000 
1 1 1 16 13 10 o 7.0080  0.2855 0.5462000      0.5710000 
1 1 1 16 13 11 o 9.7920  0.2123 -0.6712000E-01 0.4245000 
1 1 1 16 13 12 o 8.7660  0.2357 0.4626000      0.4714000 
1 1 1 16 13 13 o 4.4130  0.4699 0.7478000E-01  0.9399000 
1 1 1 16 13 14 o 10.850  0.2040 -0.1197000     0.4079000 
1 1 1 16 13 15 o 21.390  0.1494 -0.3312000     0.2989000 
1 1 1 16 13 16 o 21.440  0.1457 0.1239000      0.2913000 
1 1 1 16 13 17 o 10.870  0.2280 0.6991000      0.4559000 
1 1 1 16 13 18 o 17.440  0.1519 0.1876000      0.3038000 
1 1 1 16 13 19 o 10.080  0.2739 -0.2703000     0.5478000 
1 1 1 16 13 20 o 20.280  0.1631 -0.1430000     0.3262000 
1 1 1 16 13 21 o 9.5680  0.1983 0.9279000      0.3966000 
1 1 1 16 13 22 o 7.1520  0.2528 1.526000       0.5055000 
1 1 1 16 13 23 o 12.350  0.1582 0.3615000      0.3163000 
1 1 1 16 13 24 o 5.0320  0.3123 -0.4524000E-01 0.6245000 
1 1 1 16 13 25 o 16.110  0.1391 -0.2853000     0.2782000 
1 1 1 16 13 26 o 12.960  0.1566 0.5524000      0.3132000 
1 1 1 16 13 27 o 13.510  0.2156 -0.9560000E-01 0.4312000 
1 1 1 16 13 28 o 14.300  0.1819 0.7680000E-01  0.3637000 
1 1 1 16 13 29 o 17.720  0.1836 0.2919000      0.3671000 
1 1 1 16 13 30 o 10.290  0.2379 0.3946000E-01  0.4757000 
1 1 1 16 13 31 o 8.1690  0.2939 0.8025000      0.5877000 
1 1 1 16 13 32 o 3.9570  0.4974 -0.4024000     0.9949000 
1 1 1 16 13 33 o 7.4240  0.2790 0.2964000      0.5580000 
1 1 1 16 13 34 o 11.870  0.2131 -0.9048000E-02 0.4261000 
1 1 1 16 13 35 o 4.1150  0.5448 0.8950000      1.090000  
1 1 1 16 13 36 o 11.740  0.2657 0.2119000      0.5315000 
1 1 1 16 13 37 o 5.8010  0.4485 0.7243000      0.8970000 
1 1 1 16 13 38 o 7.0620  0.3697 -0.3566000     0.7394000 
1 1 1 16 13 39 o 16.220  0.2220 0.2706000      0.4441000 
1 1 1 16 13 40 o 9.9020  0.2965 0.2817000E-01  0.5931000 
1 1 1 16 13 41 f 6.6590  0.4123 0.4885000E-01  0.8247000 
1 1 1 16 13 42 o 2.2770  0.6511 -0.1267000     1.302000  
1 1 1 16 13 43 o 2.2730  0.6670 -0.3516000E-01 1.334000  
1 1 1 16 13 44 o 5.6210  0.4799 2.106000       0.9597000 
1 1 1 16 13 45 o 3.1020  0.7115 0.7179000      1.423000  
1 1 1 16 13 46 o 11.050  0.2772 -0.5188000E-01 0.5545000 
1 1 1 16 13 47 o 2.8350  0.7234 -0.9610000     1.447000  
1 1 1 16 13 48 o 2.0600  0.9374 ?              ?         
1 1 1 16 13 49 o 12.850  0.2424 0.1363000      0.4848000 
1 1 1 16 13 50 o 4.9460  0.5489 -0.3037000     1.098000  
1 1 1 16 13 51 o 2.8760  0.6727 1.104000       1.345000  
1 1 1 16 13 52 o 4.0520  0.4611 0.8228000      0.9221000 
1 1 1 16 13 53 o 4.4590  0.4429 1.251000       0.8859000 
1 1 1 16 13 54 o 2.7950  0.5564 0.1468000E-01  1.113000  
1 1 1 16 13 55 o 2.5750  0.5800 -0.6545000     1.160000  
1 1 1 16 13 56 o 7.6510  0.2573 -0.1986000E-01 0.5147000 
1 1 1 16 13 57 o 7.8640  0.2651 0.6638000      0.5303000 
1 1 1 16 13 58 o 10.260  0.2200 0.7719000      0.4399000 
1 1 1 16 13 59 o 6.2930  0.2217 0.2419000      0.4434000 
1 1 1 16 13 60 o 7.8360  0.1946 0.1623000      0.3892000 
1 1 1 16 13 61 o 5.6820  0.2641 0.3250000      0.5281000 
1 1 1 16 13 62 o 2.8810  0.5198 -0.3838000     1.040000  
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1 1 1 16 14 2  o 19.630  0.1589 0.2288000      0.3178000 
1 1 1 16 14 3  f 14.450  0.1866 -0.2872000     0.3732000 
1 1 1 16 14 4  o 15.960  0.1668 0.3150000      0.3337000 
1 1 1 16 14 5  o 17.720  0.1591 0.2514000E-01  0.3182000 
1 1 1 16 14 6  o 14.380  0.1978 0.7039000E-01  0.3955000 
1 1 1 16 14 7  o 4.8280  0.4481 -0.1474000     0.8962000 
1 1 1 16 14 8  o 19.950  0.1550 0.2028000      0.3101000 
1 1 1 16 14 9  o 9.0830  0.2357 -0.3176000     0.4713000 
1 1 1 16 14 10 o 3.5570  0.5640 -0.3966000     1.128000  
1 1 1 16 14 11 o 1.9550  0.5643 0.3388000      1.129000  
1 1 1 16 14 12 o 11.060  0.1931 0.3614000      0.3862000 
1 1 1 16 14 13 o 21.120  0.1532 0.3585000      0.3063000 
1 1 1 16 14 14 o 12.430  0.1986 0.1759000      0.3972000 
1 1 1 16 14 15 o 8.9800  0.2379 -0.6090000     0.4758000 
1 1 1 16 14 16 o 13.120  0.1664 -0.1258000     0.3328000 
1 1 1 16 14 17 o 17.590  0.1535 -0.3880000     0.3069000 
1 1 1 16 14 18 o 18.340  0.1811 0.2935000      0.3622000 
1 1 1 16 14 19 o 3.2030  0.5593 1.761000       1.119000  
1 1 1 16 14 20 o 1.9000  0.5896 -0.9291000E-01 1.179000  
1 1 1 16 14 21 o 7.9310  0.3028 0.3031000      0.6057000 
1 1 1 16 14 22 o 9.1330  0.1993 0.4296000      0.3986000 
1 1 1 16 14 23 o 12.890  0.1580 0.3883000      0.3161000 
1 1 1 16 14 24 o 14.690  0.1478 0.3483000      0.2956000 
1 1 1 16 14 25 o 20.320  0.1524 -0.3142000     0.3049000 
1 1 1 16 14 26 o 9.8530  0.1854 -0.4189000     0.3709000 
1 1 1 16 14 27 o 7.1080  0.2253 0.7814000E-01  0.4506000 
1 1 1 16 14 28 o 10.840  0.2324 -0.8263000     0.4648000 
1 1 1 16 14 29 o 8.4990  0.2813 -0.1626000     0.5626000 
1 1 1 16 14 30 o 7.5400  0.2851 0.3218000      0.5702000 
1 1 1 16 14 31 o 7.2970  0.2978 0.4916000      0.5957000 
1 1 1 16 14 32 o 8.9930  0.2677 -0.6679000E-01 0.5353000 
1 1 1 16 14 33 o 10.720  0.2704 0.2971000E-01  0.5408000 
1 1 1 16 14 34 o 13.690  0.2282 0.5316000E-01  0.4564000 
1 1 1 16 14 35 o 3.9800  0.6443 1.066000       1.289000  
1 1 1 16 14 36 o 4.2130  0.5892 -1.530000      1.178000  
1 1 1 16 14 37 o 13.060  0.2177 -0.6901000     0.4355000 
1 1 1 16 14 38 o 14.310  0.2206 -0.3295000     0.4412000 
1 1 1 16 14 39 o 6.0440  0.4696 0.7594000      0.9393000 
1 1 1 16 14 40 o 4.4160  0.6192 0.5404000      1.238000  
1 1 1 16 14 41 o 4.1080  0.6060 -0.9545000     1.212000  
1 1 1 16 14 42 o 4.4500  0.5547 1.093000       1.109000  
1 1 1 16 14 43 o 3.6780  0.5984 -1.500000      1.197000  
1 1 1 16 14 44 o 3.0610  0.6817 0.9338000      1.363000  
1 1 1 16 14 45 o 3.5090  0.6658 -0.8059000     1.332000  
1 1 1 16 14 46 o 2.0870  0.6685 0.5067000      1.337000  
1 1 1 16 14 47 o 9.7330  0.3370 0.6742000      0.6740000 
1 1 1 16 14 48 o 9.1070  0.2863 0.4020000      0.5726000 
1 1 1 16 14 49 o 4.9990  0.5305 -1.571000      1.061000  
1 1 1 16 14 50 o 3.3670  0.6847 -0.1576000     1.369000  
1 1 1 16 14 51 o 4.6030  0.5196 1.083000       1.039000  
1 1 1 16 14 52 o 2.7850  0.6731 0.5507000      1.346000  
1 1 1 16 14 53 o 3.0050  0.6650 1.011000       1.330000  
1 1 1 16 14 54 o 7.3260  0.3396 -0.7465000     0.6791000 
1 1 1 16 14 55 o 3.9280  0.6217 -0.4696000     1.243000  
1 1 1 16 14 56 o 4.0050  0.6139 1.069000       1.228000  
1 1 1 16 14 57 o 6.9670  0.3141 1.962000       0.6282000 
1 1 1 16 14 58 o 2.1970  0.5830 -0.3520000     1.166000  
1 1 1 16 14 59 o 10.860  0.2113 0.5903000      0.4226000 
1 1 1 16 14 60 o 2.8450  0.5952 -0.1833000     1.190000  
1 1 1 16 14 61 o 1.9660  0.4805 -0.5873000     0.9610000 
1 1 1 16 15 0  o 2.8500  1.0510 0.000000       0.000000  
1 1 1 16 15 1  o 19.600  0.1712 0.3536000      0.3424000 
1 1 1 16 15 2  o 27.820  0.1700 -0.2191000     0.3401000 
1 1 1 16 15 3  o 19.560  0.1495 0.6422000E-01  0.2991000 
1 1 1 16 15 4  o 12.520  0.1987 -0.2723000E-01 0.3974000 
1 1 1 16 15 5  o 16.090  0.1724 0.1392000      0.3449000 
1 1 1 16 15 6  o 12.940  0.1741 -0.1288000     0.3483000 
1 1 1 16 15 7  o 23.110  0.1433 0.5565000E-01  0.2867000 
1 1 1 16 15 8  o 19.380  0.1458 -0.2990000     0.2916000 
1 1 1 16 15 9  o 22.130  0.1424 0.4381000E-01  0.2847000 
1 1 1 16 15 10 o 4.1510  0.4583 -0.1688000     0.9167000 
1 1 1 16 15 11 o 8.8380  0.2161 -0.2469000     0.4322000 
1 1 1 16 15 12 o 2.3700  0.5845 -0.3816000E-01 1.169000  
1 1 1 16 15 13 o 9.6570  0.1946 -0.5129000E-01 0.3891000 
1 1 1 16 15 14 o 11.530  0.1677 0.2114000E-01  0.3353000 
1 1 1 16 15 15 o 9.1570  0.2368 -0.1592000     0.4737000 
1 1 1 16 15 16 o 30.180  0.1497 -0.4272000E-01 0.2995000 
1 1 1 16 15 17 o 12.480  0.2147 -0.9814000     0.4295000 
1 1 1 16 15 18 o 26.350  0.1540 -0.7567000E-01 0.3081000 
1 1 1 16 15 19 o 18.030  0.1607 -0.8162000     0.3215000 
1 1 1 16 15 20 o 8.1170  0.3327 0.7286000E-01  0.6655000 
1 1 1 16 15 21 o 5.4780  0.5467 0.4102000      1.093000  
1 1 1 16 15 22 o 2.0500  0.5690 -0.2568000     1.138000  
1 1 1 16 15 23 o 4.4750  0.3846 -0.8998000     0.7692000 
1 1 1 16 15 24 o 4.3250  0.4742 1.461000       0.9484000 
1 1 1 16 15 25 o 9.9940  0.2011 -0.1859000     0.4022000 
1 1 1 16 15 26 o 10.730  0.1826 -0.2310000     0.3651000 
1 1 1 16 15 27 o 5.8940  0.3351 0.1111000E-01  0.6701000 
1 1 1 16 15 28 o 6.8320  0.2715 0.5549000      0.5430000 
1 1 1 16 15 29 o 15.460  0.1986 0.2092000      0.3973000 
1 1 1 16 15 30 o 11.920  0.2734 0.7075000      0.5468000 
1 1 1 16 15 31 o 5.3670  0.5536 -0.7097000     1.107000  
1 1 1 16 15 32 o 5.7520  0.5168 1.278000       1.034000  
1 1 1 16 15 33 o 9.5550  0.3175 0.5831000      0.6350000 
1 1 1 16 15 34 o 2.7100  0.7076 -0.9779000     1.415000  
1 1 1 16 15 35 o 6.3500  0.4159 0.5420000      0.8317000 
1 1 1 16 15 36 o 4.5090  0.6267 1.093000       1.253000  
1 1 1 16 15 37 o 8.4160  0.3689 -1.686000      0.7378000 
1 1 1 16 15 38 o 2.7060  0.6934 0.5174000      1.387000  
1 1 1 16 15 39 o 12.310  0.2504 -0.8247000E-01 0.5007000 
1 1 1 16 15 40 o 7.5430  0.3390 -0.1251000     0.6779000 
1 1 1 16 15 41 o 3.7950  0.6283 -0.1275000     1.257000  
1 1 1 16 15 42 o 2.8330  0.6516 -1.335000      1.303000  
1 1 1 16 15 43 o 11.890  0.2220 -0.2687000     0.4440000 
1 1 1 16 15 44 o 4.3420  0.5444 1.660000       1.089000  
1 1 1 16 15 45 o 5.3560  0.5107 -0.1641000     1.021000  
1 1 1 16 15 46 o 3.9130  0.6728 0.8243000      1.346000  
1 1 1 16 15 47 o 3.2680  0.6780 -1.034000      1.356000  
1 1 1 16 15 48 o 3.4140  0.6613 -1.299000      1.323000  
1 1 1 16 15 49 o 9.4220  0.2655 0.2556000      0.5311000 
1 1 1 16 15 50 o 8.6250  0.2838 0.8185000      0.5676000 
1 1 1 16 15 51 o 1.9910  0.5615 -1.453000      1.123000  
1 1 1 16 15 52 o 2.1100  0.5768 -1.434000      1.154000  
1 1 1 16 15 53 o 5.2160  0.4733 -0.4669000     0.9465000 
1 1 1 16 15 54 o 2.8050  0.6635 1.318000       1.327000  
1 1 1 16 15 55 o 5.1650  0.4910 0.7560000      0.9820000 
1 1 1 16 15 56 o 2.0990  0.6301 0.6592000      1.260000  
1 1 1 16 15 57 o 5.4410  0.4661 -0.2100000     0.9322000 
1 1 1 16 15 58 o 3.2050  0.6717 -1.066000      1.343000  
1 1 1 16 15 59 o 1.7350  0.5728 -0.9348000E-01 1.146000  
1 1 1 16 15 60 o 2.0080  0.6280 0.2879000      1.256000  
1 1 1 16 16 0  o 17.400  0.4471 0.000000       0.000000  
1 1 1 16 16 1  o 13.210  0.2906 0.000000       0.000000  
1 1 1 16 16 2  o 1.4890  0.9274 0.000000       0.000000  
1 1 1 16 16 3  o 13.800  0.2738 0.000000       0.000000  
1 1 1 16 16 4  o 16.480  0.2516 0.000000       0.000000  
1 1 1 16 16 5  o 2.8430  1.0560 0.000000       0.000000  
1 1 1 16 16 6  f 13.170  0.2493 0.000000       0.000000  
1 1 1 16 16 7  o 5.5460  0.5206 0.000000       0.000000  
1 1 1 16 16 8  o 23.850  0.2063 0.000000       0.000000  
1 1 1 16 16 9  o 6.1650  0.4569 0.000000       0.000000  
1 1 1 16 16 10 o 1.1170  0.7620 0.000000       0.000000  
1 1 1 16 16 11 o 6.9360  0.4010 0.000000       0.000000  
1 1 1 16 16 12 o 16.290  0.2195 0.000000       0.000000  
1 1 1 16 16 13 o 29.030  0.1960 0.000000       0.000000  
1 1 1 16 16 14 o 10.960  0.2558 0.000000       0.000000  
1 1 1 16 16 15 o 1.6760  0.9525 0.000000       0.000000  
1 1 1 16 16 16 o 2.9920  0.9501 0.000000       0.000000  
1 1 1 16 16 17 o 3.2470  0.9261 0.000000       0.000000  
1 1 1 16 16 18 o 8.7770  0.3762 0.000000       0.000000  
1 1 1 16 16 19 o 12.310  0.2765 0.000000       0.000000  
1 1 1 16 16 20 o 14.900  0.2403 0.000000       0.000000  
1 1 1 16 16 21 o 6.0220  0.7586 0.000000       0.000000  
1 1 1 16 16 22 f 2.4890  1.5490 0.000000       0.000000  
1 1 1 16 16 23 o 1.5960  0.9739 0.000000       0.000000  
1 1 1 16 16 24 o 1.0480  0.7258 0.000000       0.000000  
1 1 1 16 16 25 o 1.0820  0.7498 0.000000       0.000000  
1 1 1 16 16 26 o 4.7420  0.6313 0.000000       0.000000  
1 1 1 16 16 27 o 0.9462  0.6685 0.000000       0.000000  
1 1 1 16 16 28 o 5.1430  0.5151 0.000000       0.000000  
1 1 1 16 16 29 o 1.3410  0.8477 0.000000       0.000000  
1 1 1 16 16 30 o 3.1130  0.8594 0.000000       0.000000  
1 1 1 16 16 31 o 7.8810  0.5267 0.000000       0.000000  
1 1 1 16 16 32 o 4.1600  1.0870 0.000000       0.000000  
1 1 1 16 16 33 o 1.7390  1.0510 0.000000       0.000000  
1 1 1 16 16 34 o 10.920  0.3901 0.000000       0.000000  
1 1 1 16 16 35 o 1.0440  0.7466 0.000000       0.000000  
1 1 1 16 16 36 o 2.3270  1.1980 0.000000       0.000000  
1 1 1 16 16 37 o 8.8170  0.4529 0.000000       0.000000  
1 1 1 16 16 38 o 5.9220  0.6424 0.000000       0.000000  
1 1 1 16 16 39 o 11.020  0.3410 0.000000       0.000000  
1 1 1 16 16 40 o 4.8880  0.6963 0.000000       0.000000  
1 1 1 16 16 41 o 6.5100  0.5051 0.000000       0.000000  
1 1 1 16 16 42 o 6.5540  0.4968 0.000000       0.000000  
1 1 1 16 16 43 o 3.1980  1.1010 0.000000       0.000000  
1 1 1 16 16 44 o 3.2130  1.2110 0.000000       0.000000  
1 1 1 16 16 45 o 1.2910  0.8655 0.000000       0.000000  
1 1 1 16 16 46 o 1.5070  0.9743 0.000000       0.000000  
1 1 1 16 16 47 o 9.3330  0.4252 0.000000       0.000000  
1 1 1 16 16 48 o 2.9360  1.2020 0.000000       0.000000  
1 1 1 16 16 49 o 1.0850  0.7608 0.000000       0.000000  
1 1 1 16 16 50 o 1.4530  0.9329 0.000000       0.000000  
1 1 1 16 16 51 o 1.1520  0.7935 0.000000       0.000000  
1 1 1 16 16 52 o 1.5560  0.9705 0.000000       0.000000  
1 1 1 16 16 53 o 14.990  0.2896 0.000000       0.000000  
1 1 1 16 16 54 o 5.3030  0.6527 0.000000       0.000000  
1 1 1 16 16 55 o 10.020  0.3715 0.000000       0.000000  
1 1 1 16 16 56 o 1.9420  1.0920 0.000000       0.000000  
1 1 1 16 16 57 o 1.4830  0.9526 0.000000       0.000000  
1 1 1 16 16 58 o 2.0610  1.1190 0.000000       0.000000  
1 1 1 16 16 59 o 6.1560  0.6488 0.000000       0.000000  
1 1 1 16 16 60 o 8.7230  0.5833 0.000000       0.000000  
1 1 1 17 0  1  o 9.8050  0.2518 0.000000       0.000000  
1 1 1 17 0  2  o 6.8910  0.2848 0.000000       0.000000  
1 1 1 17 0  3  o 13.000  0.1925 0.000000       0.000000  
1 1 1 17 0  4  f 1.9310  0.9319 0.000000       0.000000  
1 1 1 17 0  5  o 5.0720  0.5360 0.000000       0.000000  
1 1 1 17 0  6  f 5.5450  0.4135 0.000000       0.000000  
1 1 1 17 0  7  o 8.2250  0.2983 0.000000       0.000000  
1 1 1 17 0  8  o 7.9450  0.3623 0.000000       0.000000  
1 1 1 17 0  9  o 6.6090  0.4180 0.000000       0.000000  
1 1 1 17 0  10 o 5.8680  0.4776 0.000000       0.000000  
1 1 1 17 0  11 o 9.1970  0.3333 0.000000       0.000000  
1 1 1 17 0  12 o 6.3880  0.3737 0.000000       0.000000  
1 1 1 17 0  13 o 1.3090  0.8198 0.000000       0.000000  
1 1 1 17 0  14 o 8.9250  0.2921 0.000000       0.000000  
1 1 1 17 0  15 o 23.500  0.2157 0.000000       0.000000  
1 1 1 17 0  16 o 1.0670  0.7411 0.000000       0.000000  
1 1 1 17 0  17 o 16.690  0.2718 0.000000       0.000000  
1 1 1 17 0  18 o 26.690  0.2789 0.000000       0.000000  
1 1 1 17 0  19 o 11.590  0.3277 0.000000       0.000000  
1 1 1 17 0  20 o 5.2360  0.6654 0.000000       0.000000  
1 1 1 17 0  21 o 22.140  0.2757 0.000000       0.000000  
1 1 1 17 0  22 o 17.100  0.2926 0.000000       0.000000  
1 1 1 17 0  23 o 38.460  0.3355 0.000000       0.000000  
1 1 1 17 0  24 o 8.8350  0.4385 0.000000       0.000000  
1 1 1 17 0  25 o 13.460  0.3345 0.000000       0.000000  
1 1 1 17 0  26 o 4.5310  0.9216 0.000000       0.000000  
1 1 1 17 0  27 o 16.860  0.2454 0.000000       0.000000  
1 1 1 17 0  28 o 8.1710  0.3937 0.000000       0.000000  
1 1 1 17 0  29 o 19.860  0.2380 0.000000       0.000000  
1 1 1 17 0  30 o 15.820  0.2585 0.000000       0.000000  
1 1 1 17 0  31 o 3.3770  1.0470 0.000000       0.000000  
1 1 1 17 0  32 o 28.010  0.2444 0.000000       0.000000  
1 1 1 17 0  33 o 5.5190  0.5988 0.000000       0.000000  
1 1 1 17 0  34 o 6.0030  0.6920 0.000000       0.000000  
1 1 1 17 0  35 o 9.7960  0.4440 0.000000       0.000000  
1 1 1 17 0  36 o 1.6240  1.0490 0.000000       0.000000  
1 1 1 17 0  37 o 3.1580  1.1440 0.000000       0.000000  
1 1 1 17 0  38 o 7.8630  0.5048 0.000000       0.000000  
1 1 1 17 0  39 o 10.710  0.3998 0.000000       0.000000  
1 1 1 17 0  40 o 12.160  0.3182 0.000000       0.000000  
1 1 1 17 0  41 o 18.980  0.2532 0.000000       0.000000  
1 1 1 17 0  42 o 5.6720  0.6002 0.000000       0.000000  
1 1 1 17 0  43 o 6.2410  0.5324 0.000000       0.000000  
1 1 1 17 0  44 o 9.0920  0.3771 0.000000       0.000000  
1 1 1 17 0  45 o 3.7940  0.7743 0.000000       0.000000  
1 1 1 17 0  46 o 10.530  0.3172 0.000000       0.000000  
1 1 1 17 0  47 o 1.0340  0.7176 0.000000       0.000000  
1 1 1 17 0  48 o 1.4850  0.9218 0.000000       0.000000  
1 1 1 17 0  49 o 4.1980  0.6635 0.000000       0.000000  
1 1 1 17 0  50 o 3.9590  0.7302 0.000000       0.000000  
1 1 1 17 0  51 o 7.5050  0.4350 0.000000       0.000000  
1 1 1 17 0  52 o 10.960  0.3246 0.000000       0.000000  
1 1 1 17 0  53 o 8.3990  0.3387 0.000000       0.000000  
1 1 1 17 0  54 o 5.4930  0.4884 0.000000       0.000000  
1 1 1 17 0  55 o 2.5180  1.0280 0.000000       0.000000  
1 1 1 17 0  56 o 3.3110  0.9006 0.000000       0.000000  
1 1 1 17 0  57 o 1.1600  0.7786 0.000000       0.000000  
1 1 1 17 0  58 o 6.6560  0.4856 0.000000       0.000000  
1 1 1 17 0  59 o 5.0610  0.8891 0.000000       0.000000  
1 1 1 17 0  60 o 1.5190  0.9629 0.000000       0.000000  
1 1 1 17 0  61 o 2.1170  1.0940 0.000000       0.000000  
1 1 1 17 0  62 o 7.9660  0.3602 0.000000       0.000000  
1 1 1 17 0  63 o 1.2760  0.8423 0.000000       0.000000  
1 1 1 17 0  64 o 1.6950  0.9938 0.000000       0.000000  
1 1 1 17 0  65 o 3.8580  0.8494 0.000000       0.000000  
1 1 1 17 0  66 o 1.9530  1.0270 0.000000       0.000000  
1 1 1 17 1  0  o 6.8590  0.2802 0.000000       0.000000  
1 1 1 17 1  1  o 16.130  0.1260 -0.8285000E-01 0.2520000 
1 1 1 17 1  2  o 30.640  0.1521 0.1179000      0.3043000 
1 1 1 17 1  3  o 6.8240  0.2201 -0.5890000     0.4401000 
1 1 1 17 1  4  o 17.450  0.1459 0.2068000      0.2918000 
1 1 1 17 1  5  o 16.000  0.1802 0.2615000      0.3605000 
1 1 1 17 1  6  o 4.7130  0.3554 -0.4854000     0.7108000 
1 1 1 17 1  7  o 3.5090  0.4973 -1.517000      0.9945000 
1 1 1 17 1  8  o 9.7880  0.1893 -0.3937000E-01 0.3786000 
1 1 1 17 1  9  o 3.4000  0.5491 0.4438000      1.098000  
1 1 1 17 1  10 o 29.410  0.1967 -0.2170000E-01 0.3933000 
1 1 1 17 1  11 o 10.510  0.2049 -0.4540000     0.4097000 
1 1 1 17 1  12 o 12.380  0.1673 -0.1372000     0.3345000 
1 1 1 17 1  13 o 9.5100  0.1959 -0.7159000E-01 0.3919000 
1 1 1 17 1  14 o 14.380  0.1778 0.1042000      0.3556000 
1 1 1 17 1  15 o 28.980  0.1825 0.1181000      0.3651000 
1 1 1 17 1  16 o 14.100  0.1844 0.1776000      0.3688000 
1 1 1 17 1  17 o 2.9140  0.5891 0.8812000      1.178000  
1 1 1 17 1  18 o 5.3950  0.4835 3.292000       0.9671000 
1 1 1 17 1  19 o 6.1940  0.3713 -0.4608000     0.7427000 
1 1 1 17 1  20 o 10.820  0.2453 0.8733000E-01  0.4906000 
1 1 1 17 1  21 o 12.760  0.2279 -0.4174000     0.4558000 
1 1 1 17 1  22 o 31.030  0.2126 0.2340000      0.4251000 
1 1 1 17 1  23 o 3.3630  0.6858 -0.2240000     1.372000  
1 1 1 17 1  24 o 12.220  0.2459 0.4240000      0.4918000 
1 1 1 17 1  25 o 13.170  0.2411 -0.6036000     0.4822000 
1 1 1 17 1  26 o 14.320  0.2074 0.1673000E-01  0.4148000 
1 1 1 17 1  27 o 13.450  0.1902 -0.5677000     0.3803000 
1 1 1 17 1  28 o 10.570  0.2266 -0.5184000E-01 0.4532000 
1 1 1 17 1  29 o 16.880  0.1759 -0.8419000E-01 0.3517000 
1 1 1 17 1  30 o 10.600  0.2303 0.4850000      0.4606000 
1 1 1 17 1  31 o 6.6150  0.3428 0.4601000      0.6855000 
1 1 1 17 1  32 o 4.3630  0.5304 0.6249000      1.061000  
1 1 1 17 1  33 o 3.0250  0.6546 -0.5547000     1.309000  
1 1 1 17 1  34 o 8.4870  0.3196 -0.1960000     0.6391000 
1 1 1 17 1  35 o 7.7480  0.3939 -1.584000      0.7878000 
1 1 1 17 1  36 o 8.6380  0.3365 1.486000       0.6730000 
1 1 1 17 1  37 o 4.9770  0.5296 0.2197000E-02  1.059000  
1 1 1 17 1  38 o 11.400  0.2696 0.2569000      0.5392000 
1 1 1 17 1  39 o 10.150  0.2945 0.3409000      0.5891000 
1 1 1 17 1  40 o 2.0460  0.6099 0.7759000      1.220000  
1 1 1 17 1  41 o 4.9900  0.4883 0.5636000      0.9766000 
1 1 1 17 1  42 f 9.9330  0.2575 -0.1406000E-01 0.5150000 
1 1 1 17 1  43 o 10.130  0.2507 0.1591000      0.5014000 
1 1 1 17 1  44 o 12.430  0.2335 0.5039000      0.4670000 
1 1 1 17 1  45 o 3.0420  0.6696 -1.409000      1.339000  
1 1 1 17 1  46 o 10.980  0.2007 0.1789000      0.4014000 
1 1 1 17 1  47 o 12.510  0.1908 0.3172000E-01  0.3815000 
1 1 1 17 1  48 o 6.0490  0.3144 -0.1769000     0.6289000 
1 1 1 17 1  49 o 2.9510  0.6024 -0.3042000     1.205000  
1 1 1 17 1  50 o 6.0230  0.3457 -0.8504000     0.6914000 
1 1 1 17 1  51 o 3.5890  0.5609 -1.135000      1.122000  
1 1 1 17 1  52 o 6.9190  0.3041 0.3704000      0.6082000 
1 1 1 17 1  53 o 4.6070  0.4704 1.481000       0.9408000 
1 1 1 17 1  54 o 2.6210  0.6142 -0.9145000     1.228000  
1 1 1 17 1  55 o 1.8700  0.5590 -0.1021000     1.118000  
1 1 1 17 1  56 o 6.2420  0.3408 -0.3763000     0.6815000 
1 1 1 17 1  57 o 6.7870  0.3540 0.4034000E-01  0.7080000 
1 1 1 17 1  58 o 3.5720  0.6177 0.8730000      1.235000  
1 1 1 17 1  59 o 6.5530  0.3334 0.7360000      0.6668000 
1 1 1 17 1  60 o 6.3350  0.3848 1.273000       0.7696000 
1 1 1 17 1  61 o 5.5840  0.3797 -0.1421000     0.7595000 
1 1 1 17 1  62 o 1.9620  0.5485 1.433000       1.097000  
1 1 1 17 1  63 o 2.7570  0.6421 0.5575000      1.284000  
1 1 1 17 1  64 o 3.7020  0.5593 1.608000       1.119000  
1 1 1 17 1  65 o 3.6150  0.5614 1.302000       1.123000  
1 1 1 17 1  66 o 3.2660  0.6124 -0.1677000     1.225000  
1 1 1 17 2  0  o 4.9740  0.3969 0.000000       0.000000  
1 1 1 17 2  1  o 24.610  0.1390 -0.3420000     0.2779000 
1 1 1 17 2  2  o 2.1900  0.5360 -0.3674000     1.072000  
1 1 1 17 2  3  o 5.7670  0.2664 -0.8744000E-01 0.5328000 
1 1 1 17 2  4  o 6.6010  0.2755 0.9341000      0.5509000 
1 1 1 17 2  5  o 14.840  0.1661 0.2269000      0.3321000 
1 1 1 17 2  6  o 12.710  0.1704 -0.4588000     0.3409000 
1 1 1 17 2  7  o 12.440  0.2086 -0.4405000     0.4172000 
1 1 1 17 2  8  o 11.550  0.1831 0.1114000      0.3661000 
1 1 1 17 2  9  o 13.000  0.1640 -0.3627000     0.3280000 
1 1 1 17 2  10 o 4.6860  0.3582 0.2342000      0.7164000 
1 1 1 17 2  11 o 3.7090  0.4875 -1.262000      0.9751000 
1 1 1 17 2  12 o 21.070  0.2249 0.5102000      0.4499000 
1 1 1 17 2  13 o 23.720  0.1698 -0.1915000     0.3395000 
1 1 1 17 2  14 o 5.4470  0.3561 0.1735000      0.7122000 
1 1 1 17 2  15 o 17.900  0.1717 -0.6596000E-01 0.3434000 
1 1 1 17 2  16 o 7.6420  0.2723 0.4913000      0.5447000 
1 1 1 17 2  17 o 18.250  0.1732 -0.2229000     0.3464000 
1 1 1 17 2  18 o 23.540  0.1756 0.1205000      0.3513000 
1 1 1 17 2  19 o 19.910  0.1758 -0.2478000     0.3517000 
1 1 1 17 2  20 o 8.3100  0.2774 0.5784000      0.5548000 
1 1 1 17 2  21 o 5.2010  0.4802 -0.8241000     0.9604000 
1 1 1 17 2  22 o 21.750  0.1995 0.9067000E-01  0.3990000 
1 1 1 17 2  23 o 7.2130  0.3649 0.5742000      0.7298000 
1 1 1 17 2  24 o 12.510  0.2414 -0.1453000     0.4828000 
1 1 1 17 2  25 o 27.910  0.2087 -0.2693000     0.4175000 
1 1 1 17 2  26 o 7.3530  0.3392 1.093000       0.6783000 
1 1 1 17 2  27 o 14.150  0.2142 -0.2770000E-01 0.4285000 
1 1 1 17 2  28 o 2.8210  0.6075 -1.803000      1.215000  
1 1 1 17 2  29 o 6.7140  0.3899 -0.4917000     0.7799000 
1 1 1 17 2  30 f 12.910  0.2356 0.3349000      0.4711000 
1 1 1 17 2  31 o 13.690  0.2268 1.176000       0.4536000 
1 1 1 17 2  32 o 14.740  0.2203 0.1634000      0.4406000 
1 1 1 17 2  33 o 10.890  0.2783 -0.5920000     0.5565000 
1 1 1 17 2  34 o 11.510  0.3480 0.9345000      0.6960000 
1 1 1 17 2  35 o 13.300  0.3540 -0.9837000     0.7080000 
1 1 1 17 2  36 o 20.830  0.2251 0.5692000      0.4502000 
1 1 1 17 2  37 o 4.7090  0.6612 -0.7016000     1.322000  
1 1 1 17 2  38 o 6.2770  0.4484 -0.8266000     0.8968000 
1 1 1 17 2  39 o 5.6950  0.4606 1.054000       0.9212000 
1 1 1 17 2  40 o 8.4220  0.3177 -0.1852000     0.6355000 
1 1 1 17 2  41 o 6.6160  0.3682 -0.1548000     0.7363000 
1 1 1 17 2  42 o 8.9110  0.2832 0.2420000      0.5665000 
1 1 1 17 2  43 o 12.890  0.2468 0.6002000      0.4937000 
1 1 1 17 2  44 o 3.5580  0.6030 0.7289000      1.206000  
1 1 1 17 2  45 o 9.4440  0.2557 0.1362000      0.5115000 
1 1 1 17 2  46 o 3.6350  0.5770 -0.7376000     1.154000  
1 1 1 17 2  47 o 4.2590  0.4476 -0.3814000     0.8952000 
1 1 1 17 2  48 o 4.2120  0.4676 -1.471000      0.9352000 
1 1 1 17 2  49 o 4.4320  0.4652 -0.3200000     0.9304000 
1 1 1 17 2  50 o 2.9180  0.6350 -0.5651000E-01 1.270000  
1 1 1 17 2  51 o 1.5860  0.5146 -0.1867000     1.029000  
1 1 1 17 2  52 o 7.3540  0.2813 0.2045000      0.5625000 
1 1 1 17 2  53 o 7.6390  0.2725 0.3928000      0.5450000 
1 1 1 17 2  54 o 7.0870  0.2845 0.1272000      0.5689000 
1 1 1 17 2  55 o 4.2180  0.5017 1.334000       1.003000  
1 1 1 17 2  56 o 2.0900  0.5932 0.1823000      1.186000  
1 1 1 17 2  57 o 6.0650  0.3388 -0.2410000     0.6776000 
1 1 1 17 2  58 o 8.1690  0.2637 -0.6083000E-01 0.5274000 
1 1 1 17 2  59 o 1.6510  0.5289 -0.9042000E-01 1.058000  
1 1 1 17 2  60 o 8.3990  0.2556 0.3678000      0.5112000 
1 1 1 17 2  61 o 2.1640  0.5878 0.2083000      1.176000  
1 1 1 17 2  62 o 4.7860  0.4114 0.2349000      0.8228000 
1 1 1 17 2  63 o 8.0560  0.3018 1.607000       0.6037000 
1 1 1 17 2  64 o 4.8660  0.4064 0.4829000      0.8128000 
1 1 1 17 2  65 o 2.4690  0.6173 -0.1315000     1.235000  
1 1 1 17 2  66 o 2.3590  0.5764 -1.798000      1.153000  
1 1 1 17 3  0  o 9.9390  0.2555 0.000000       0.000000  
1 1 1 17 3  1  o 12.560  0.1750 0.4982000      0.3499000 
1 1 1 17 3  2  o 2.6720  0.5430 0.9361000      1.086000  
1 1 1 17 3  3  o 5.0360  0.2898 -0.5372000     0.5795000 
1 1 1 17 3  4  o 17.050  0.1345 -0.1144000     0.2691000 
1 1 1 17 3  5  o 7.6860  0.2172 -0.2925000     0.4344000 
1 1 1 17 3  6  o 13.230  0.2004 -0.2048000     0.4009000 
1 1 1 17 3  7  o 22.530  0.1930 -0.5948000     0.3861000 
1 1 1 17 3  8  o 8.8910  0.2569 -0.7972000     0.5138000 
1 1 1 17 3  9  o 8.4540  0.2085 0.7694000      0.4170000 
1 1 1 17 3  10 o 7.7750  0.2378 0.4181000E-01  0.4755000 
1 1 1 17 3  11 o 7.5200  0.2724 -0.1224000     0.5448000 
1 1 1 17 3  12 o 5.6000  0.3460 0.1665000      0.6920000 
1 1 1 17 3  13 o 3.0370  0.5775 -0.5684000     1.155000  
1 1 1 17 3  14 o 13.100  0.1861 0.2623000      0.3721000 
1 1 1 17 3  15 o 18.660  0.2113 ?              ?         
1 1 1 17 3  16 o 2.5040  0.6127 -0.5438000     1.225000  
1 1 1 17 3  17 o 10.320  0.2227 -0.3575000     0.4454000 
1 1 1 17 3  18 o 16.480  0.1833 0.1778000      0.3665000 
1 1 1 17 3  19 o 23.080  0.1783 0.3353000E-01  0.3566000 
1 1 1 17 3  20 o 12.810  0.2066 -0.5831000E-01 0.4132000 
1 1 1 17 3  21 o 13.680  0.2028 -0.5155000     0.4057000 
1 1 1 17 3  22 o 10.870  0.2352 0.4379000      0.4705000 
1 1 1 17 3  23 o 7.0170  0.3749 0.4530000      0.7498000 
1 1 1 17 3  24 o 14.590  0.2239 -0.5896000     0.4479000 
1 1 1 17 3  25 o 15.070  0.2039 -0.1635000E-01 0.4077000 
1 1 1 17 3  26 o 20.050  0.1898 -0.1023000     0.3795000 
1 1 1 17 3  27 o 24.620  0.1901 0.4082000      0.3802000 
1 1 1 17 3  28 o 13.520  0.1940 0.4350000E-01  0.3880000 
1 1 1 17 3  29 o 29.370  0.1741 -0.3327000     0.3482000 
1 1 1 17 3  30 o 22.910  0.1687 0.2505000      0.3374000 
1 1 1 17 3  31 o 2.4720  0.6148 1.475000       1.230000  
1 1 1 17 3  32 o 19.190  0.1741 -1.174000      0.3481000 
1 1 1 17 3  33 o 8.2500  0.3232 -1.118000      0.6464000 
1 1 1 17 3  34 o 10.210  0.2727 -0.4133000     0.5454000 
1 1 1 17 3  35 o 9.9340  0.2964 -0.5654000     0.5929000 
1 1 1 17 3  36 o 20.720  0.2445 -0.2278000E-01 0.4890000 
1 1 1 17 3  37 o 13.870  0.2914 0.1239000      0.5827000 
1 1 1 17 3  38 o 12.810  0.2286 0.1604000      0.4572000 
1 1 1 17 3  39 o 7.9510  0.4458 -0.1266000     0.8916000 
1 1 1 17 3  40 o 8.1140  0.4296 0.3864000      0.8592000 
1 1 1 17 3  41 o 2.7480  0.6832 -1.475000      1.366000  
1 1 1 17 3  42 o 4.8240  0.6628 -0.2601000     1.326000  
1 1 1 17 3  43 o 8.4650  0.3234 -0.1221000     0.6469000 
1 1 1 17 3  44 o 12.050  0.2101 -0.6814000     0.4202000 
1 1 1 17 3  45 o 13.700  0.1935 -0.3866000     0.3869000 
1 1 1 17 3  46 o 10.130  0.2329 0.2117000      0.4657000 
1 1 1 17 3  47 o 7.4260  0.3149 0.6443000      0.6298000 
1 1 1 17 3  48 o 6.6130  0.3269 -1.167000      0.6539000 
1 1 1 17 3  49 o 2.2900  0.6320 0.1641000      1.264000  
1 1 1 17 3  50 o 9.1900  0.2537 0.8005000      0.5074000 
1 1 1 17 3  51 o 5.4200  0.3341 -0.2126000     0.6681000 
1 1 1 17 3  52 o 8.4160  0.2447 -0.6189000     0.4894000 
1 1 1 17 3  53 o 6.8900  0.2782 -0.1162000     0.5564000 
1 1 1 17 3  54 o 6.2430  0.3464 -0.7474000E-01 0.6929000 
1 1 1 17 3  55 o 6.9980  0.2751 0.2855000      0.5502000 
1 1 1 17 3  56 o 6.5960  0.3315 -0.9916000     0.6630000 
1 1 1 17 3  57 o 1.4390  0.4805 0.1070000      0.9609000 
1 1 1 17 3  58 o 9.3660  0.2094 -0.5042000     0.4188000 
1 1 1 17 3  59 o 4.3970  0.4187 0.4051000E-01  0.8375000 
1 1 1 17 3  60 o 2.5850  0.5251 2.041000       1.050000  
1 1 1 17 3  61 o 4.4130  0.4470 0.5435000      0.8939000 
1 1 1 17 3  62 o 6.5590  0.2958 -0.8171000     0.5917000 
1 1 1 17 3  63 o 1.5800  0.5157 0.2728000      1.031000  
1 1 1 17 3  64 f 3.5420  0.5669 -0.2707000     1.134000  
1 1 1 17 3  65 f 7.4170  0.2814 -0.8878000     0.5628000 
1 1 1 17 3  66 o 2.1960  0.5586 -1.401000      1.117000  
1 1 1 17 4  0  o 6.1800  0.3687 0.000000       0.000000  
1 1 1 17 4  1  o 4.4070  0.5478 0.6102000E-01  1.096000  
1 1 1 17 4  2  o 7.3660  0.2292 1.156000       0.4584000 
1 1 1 17 4  3  o 17.840  0.1483 -0.5858000     0.2965000 
1 1 1 17 4  4  o 3.0120  0.4998 -0.3380000E-01 0.9997000 
1 1 1 17 4  5  f 7.5210  0.2251 -0.3998000     0.4502000 
1 1 1 17 4  6  o 8.0590  0.2650 -0.2122000E-01 0.5300000 
1 1 1 17 4  7  o 16.200  0.1851 0.1042000      0.3703000 
1 1 1 17 4  8  o 6.1460  0.3340 0.8218000      0.6681000 
1 1 1 17 4  9  o 9.1530  0.1926 0.1446000      0.3852000 
1 1 1 17 4  10 o 6.4200  0.2779 -0.3946000     0.5557000 
1 1 1 17 4  11 o 8.5450  0.2324 0.5004000      0.4648000 
1 1 1 17 4  12 f 18.590  0.1644 0.1822000      0.3289000 
1 1 1 17 4  13 o 8.0620  0.2208 -0.6451000E-01 0.4416000 
1 1 1 17 4  14 o 10.760  0.2111 0.5421000      0.4222000 
1 1 1 17 4  15 o 14.170  0.1849 -0.3289000     0.3698000 
1 1 1 17 4  16 o 13.640  0.1904 0.1818000      0.3808000 
1 1 1 17 4  17 o 13.580  0.1957 0.8610000      0.3915000 
1 1 1 17 4  18 o 9.0600  0.2523 -0.8334000     0.5047000 
1 1 1 17 4  19 f 6.9390  0.3259 0.6920000      0.6518000 
1 1 1 17 4  20 o 22.550  0.1797 0.3645000      0.3593000 
1 1 1 17 4  21 o 10.380  0.2414 -0.7756000     0.4827000 
1 1 1 17 4  22 o 13.450  0.2095 0.1619000      0.4189000 
1 1 1 17 4  23 o 19.180  0.1874 0.2027000      0.3748000 
1 1 1 17 4  24 o 10.230  0.2299 0.4940000      0.4597000 
1 1 1 17 4  25 o 13.870  0.1890 0.2305000      0.3779000 
1 1 1 17 4  26 o 9.7140  0.2782 -0.9276000     0.5564000 
1 1 1 17 4  27 o 7.2510  0.3581 -0.1466000     0.7162000 
1 1 1 17 4  28 o 9.0480  0.2985 0.3611000      0.5970000 
1 1 1 17 4  29 o 17.410  0.1773 0.4059000      0.3546000 
1 1 1 17 4  30 o 7.9630  0.3017 1.214000       0.6034000 
1 1 1 17 4  31 o 25.370  0.1711 0.1707000      0.3423000 
1 1 1 17 4  32 o 11.930  0.2383 -0.8104000     0.4765000 
1 1 1 17 4  33 o 10.530  0.2582 -0.2740000     0.5164000 
1 1 1 17 4  34 o 12.720  0.3202 ?              ?         
1 1 1 17 4  35 o 2.7720  0.7262 -0.3835000     1.452000  
1 1 1 17 4  36 o 11.900  0.3330 1.249000       0.6660000 
1 1 1 17 4  37 o 13.370  0.3020 0.3407000      0.6040000 
1 1 1 17 4  38 f 14.250  0.2058 -0.2042000     0.4117000 
1 1 1 17 4  39 o 5.9420  0.4291 0.5321000E-01  0.8582000 
1 1 1 17 4  40 o 5.4530  0.5483 0.5132000      1.097000  
1 1 1 17 4  41 o 6.7710  0.3600 -0.3426000E-01 0.7200000 
1 1 1 17 4  42 o 3.9720  0.5806 -1.491000      1.161000  
1 1 1 17 4  43 o 7.0530  0.3125 -0.7212000     0.6251000 
1 1 1 17 4  44 o 2.3760  0.6077 1.077000       1.215000  
1 1 1 17 4  45 o 3.5340  0.6667 -0.5658000     1.333000  
1 1 1 17 4  46 o 2.5590  0.6904 0.8206000      1.381000  
1 1 1 17 4  47 o 3.6950  0.5897 -0.7284000     1.179000  
1 1 1 17 4  48 o 6.5790  0.3659 0.3869000      0.7318000 
1 1 1 17 4  49 o 4.0350  0.5299 -0.1589000     1.060000  
1 1 1 17 4  50 o 10.880  0.1910 -0.4738000     0.3820000 
1 1 1 17 4  51 o 6.6140  0.2723 0.9699000      0.5447000 
1 1 1 17 4  52 o 5.7990  0.3300 -0.2908000     0.6600000 
1 1 1 17 4  53 o 2.7020  0.5629 1.134000       1.126000  
1 1 1 17 4  54 o 8.4320  0.2335 0.1806000      0.4669000 
1 1 1 17 4  55 o 3.9550  0.5568 0.8050000      1.114000  
1 1 1 17 4  56 o 6.1740  0.3172 0.4518000      0.6345000 
1 1 1 17 4  57 o 3.0660  0.5595 1.214000       1.119000  
1 1 1 17 4  58 o 9.4040  0.2129 -0.2022000     0.4259000 
1 1 1 17 4  59 o 1.8900  0.5567 -0.1455000     1.113000  
1 1 1 17 4  60 o 3.5730  0.5364 1.192000       1.073000  
1 1 1 17 4  61 o 3.9730  0.5098 -1.351000      1.020000  
1 1 1 17 4  62 o 2.0070  0.5826 0.2601000      1.165000  
1 1 1 17 4  63 o 4.0870  0.5037 -0.9444000     1.007000  
1 1 1 17 4  64 f 2.7670  0.6182 -0.2507000     1.236000  
1 1 1 17 4  65 o 3.9130  0.5134 -0.7438000     1.027000  
1 1 1 17 4  66 o 4.5400  0.4474 0.5054000      0.8949000 
1 1 1 17 5  0  o 9.9780  0.2890 0.000000       0.000000  
1 1 1 17 5  1  o 13.880  0.2113 0.4008000      0.4225000 
1 1 1 17 5  2  o 19.760  0.1758 0.9836000E-02  0.3516000 
1 1 1 17 5  3  o 15.600  0.1773 0.1368000E-01  0.3545000 
1 1 1 17 5  4  o 5.2800  0.3006 0.4089000E-01  0.6012000 
1 1 1 17 5  5  o 10.790  0.1854 0.3671000      0.3709000 
1 1 1 17 5  6  o 16.580  0.1636 -0.1274000     0.3272000 
1 1 1 17 5  7  o 7.0720  0.2565 0.6904000      0.5130000 
1 1 1 17 5  8  o 22.060  0.1632 -0.1180000     0.3264000 
1 1 1 17 5  9  o 4.1870  0.4153 -1.748000      0.8307000 
1 1 1 17 5  10 o 11.800  0.1854 -0.8543000     0.3709000 
1 1 1 17 5  11 o 20.810  0.1645 -0.3938000     0.3291000 
1 1 1 17 5  12 o 18.410  0.1498 -0.3366000     0.2997000 
1 1 1 17 5  13 o 22.820  0.1649 0.3817000      0.3299000 
1 1 1 17 5  14 o 11.760  0.1756 0.3487000      0.3511000 
1 1 1 17 5  15 o 18.430  0.1515 0.5973000      0.3030000 
1 1 1 17 5  16 o 9.1290  0.2516 0.9868000      0.5033000 
1 1 1 17 5  17 o 20.510  0.1775 -0.4753000E-01 0.3550000 
1 1 1 17 5  18 o 37.250  0.2112 -0.4567000E-01 0.4223000 
1 1 1 17 5  19 o 5.0120  0.4631 0.2821000      0.9261000 
1 1 1 17 5  20 o 15.650  0.1922 0.1304000      0.3843000 
1 1 1 17 5  21 f 22.290  0.1832 0.1629000      0.3663000 
1 1 1 17 5  22 o 19.230  0.1866 0.3454000      0.3732000 
1 1 1 17 5  23 o 3.9320  0.6052 0.3347000      1.210000  
1 1 1 17 5  24 o 14.930  0.1840 0.1865000      0.3681000 
1 1 1 17 5  25 o 21.930  0.1679 0.1913000      0.3359000 
1 1 1 17 5  26 o 8.1150  0.2869 0.1272000      0.5737000 
1 1 1 17 5  27 o 5.0620  0.4448 -0.4317000     0.8897000 
1 1 1 17 5  28 o 15.220  0.2146 -0.3782000     0.4292000 
1 1 1 17 5  29 o 12.700  0.2053 0.3236000      0.4106000 
1 1 1 17 5  30 o 12.760  0.2071 0.3741000      0.4141000 
1 1 1 17 5  31 f 13.040  0.2054 -0.3105000     0.4107000 
1 1 1 17 5  32 o 8.9690  0.2941 0.1780000      0.5882000 
1 1 1 17 5  33 o 20.400  0.1872 -0.3759000     0.3744000 
1 1 1 17 5  34 o 9.3090  0.3088 -1.386000      0.6176000 
1 1 1 17 5  35 o 3.0150  0.7658 -0.1482000     1.532000  
1 1 1 17 5  36 f 2.6680  0.7020 0.6485000      1.404000  
1 1 1 17 5  37 o 6.6280  0.4282 -0.4275000     0.8563000 
1 1 1 17 5  38 o 14.120  0.1908 -0.6598000     0.3817000 
1 1 1 17 5  39 o 12.240  0.2336 0.8992000      0.4673000 
1 1 1 17 5  40 o 16.740  0.1839 0.6355000E-02  0.3679000 
1 1 1 17 5  41 o 15.130  0.1822 -0.3168000     0.3643000 
1 1 1 17 5  42 o 6.2520  0.3268 -0.5657000     0.6536000 
1 1 1 17 5  43 o 7.8790  0.2875 -0.1899000     0.5750000 
1 1 1 17 5  44 o 3.0270  0.5743 -2.390000      1.149000  
1 1 1 17 5  45 o 6.0930  0.3600 0.4072000E-01  0.7201000 
1 1 1 17 5  46 o 1.5730  0.5115 0.3836000      1.023000  
1 1 1 17 5  47 o 8.9510  0.2687 1.345000       0.5374000 
1 1 1 17 5  48 o 2.1550  0.5946 -0.5341000     1.189000  
1 1 1 17 5  49 o 4.7890  0.4373 1.679000       0.8746000 
1 1 1 17 5  50 o 5.9910  0.3679 0.6106000E-01  0.7357000 
1 1 1 17 5  51 o 3.5800  0.5458 -1.132000      1.092000  
1 1 1 17 5  52 f 7.9970  0.2670 -0.4531000E-01 0.5340000 
1 1 1 17 5  53 o 2.0520  0.5518 -1.056000      1.104000  
1 1 1 17 5  54 o 12.500  0.1909 -0.4378000     0.3818000 
1 1 1 17 5  55 o 6.4140  0.3172 -0.1555000E-01 0.6343000 
1 1 1 17 5  56 o 6.6540  0.3228 -0.6289000     0.6455000 
1 1 1 17 5  57 o 6.8970  0.2759 -0.9969000     0.5518000 
1 1 1 17 5  58 o 3.6910  0.5288 -0.6793000     1.058000  
1 1 1 17 5  59 o 4.6520  0.3899 0.9094000      0.7798000 
1 1 1 17 5  60 o 6.5730  0.2873 0.8146000      0.5746000 
1 1 1 17 5  61 o 4.6210  0.4308 0.1530000      0.8617000 
1 1 1 17 5  62 o 5.1970  0.3848 0.1878000      0.7697000 
1 1 1 17 5  63 o 1.7840  0.5488 -0.6382000E-01 1.098000  
1 1 1 17 5  64 o 9.5320  0.2470 -0.5171000     0.4939000 
1 1 1 17 5  65 o 2.1090  0.6002 0.6273000      1.200000  
1 1 1 17 6  0  o 8.9520  0.3144 0.000000       0.000000  
1 1 1 17 6  1  o 15.550  0.1688 0.7271000E-01  0.3376000 
1 1 1 17 6  2  o 7.1770  0.2795 -0.3526000     0.5589000 
1 1 1 17 6  3  o 19.240  0.1591 0.6302000E-02  0.3183000 
1 1 1 17 6  4  o 11.000  0.2209 -0.2113000     0.4417000 
1 1 1 17 6  5  f 6.8240  0.2635 0.9690000E-01  0.5270000 
1 1 1 17 6  6  o 29.570  0.1798 -0.4871000     0.3596000 
1 1 1 17 6  7  o 20.610  0.1637 -0.5423000     0.3273000 
1 1 1 17 6  8  o 27.830  0.1581 -0.1491000     0.3163000 
1 1 1 17 6  9  o 7.6390  0.2520 0.1721000      0.5041000 
1 1 1 17 6  10 o 10.250  0.2026 -0.1843000     0.4052000 
1 1 1 17 6  11 o 15.650  0.1681 -0.6785000E-01 0.3362000 
1 1 1 17 6  12 o 3.8010  0.4565 0.6450000      0.9129000 
1 1 1 17 6  13 o 13.010  0.1677 0.9815000      0.3353000 
1 1 1 17 6  14 o 13.150  0.1687 -0.2751000     0.3375000 
1 1 1 17 6  15 o 6.7870  0.3088 0.8501000      0.6175000 
1 1 1 17 6  16 o 13.950  0.1680 0.6989000      0.3360000 
1 1 1 17 6  17 o 10.350  0.2393 0.6041000      0.4785000 
1 1 1 17 6  18 o 18.440  0.1839 0.6287000      0.3678000 
1 1 1 17 6  19 o 24.990  0.1839 0.4710000      0.3677000 
1 1 1 17 6  20 o 23.260  0.1837 0.3035000      0.3674000 
1 1 1 17 6  21 o 29.290  0.1925 -0.2093000E-01 0.3849000 
1 1 1 17 6  22 o 9.4870  0.2700 -0.2418000     0.5400000 
1 1 1 17 6  23 o 24.000  0.1658 0.2836000      0.3315000 
1 1 1 17 6  24 o 17.970  0.1729 0.1446000      0.3458000 
1 1 1 17 6  25 o 18.000  0.1764 -0.1630000     0.3527000 
1 1 1 17 6  26 o 24.580  0.1716 -0.5940000     0.3433000 
1 1 1 17 6  27 o 32.830  0.2084 -0.3457000E-01 0.4168000 
1 1 1 17 6  28 o 17.400  0.2084 0.2889000E-01  0.4169000 
1 1 1 17 6  29 o 5.5040  0.5017 1.688000       1.003000  
1 1 1 17 6  30 o 5.3800  0.4265 0.5069000E-01  0.8531000 
1 1 1 17 6  31 o 10.680  0.2506 0.3453000E-01  0.5012000 
1 1 1 17 6  32 f 10.540  0.2521 0.2064000      0.5042000 
1 1 1 17 6  33 o 8.2640  0.2662 -0.4984000     0.5324000 
1 1 1 17 6  34 o 10.060  0.3004 1.674000       0.6008000 
1 1 1 17 6  35 o 4.7160  0.5764 0.3767000      1.153000  
1 1 1 17 6  36 o 6.0610  0.4180 1.183000       0.8360000 
1 1 1 17 6  37 o 17.470  0.1869 -0.6830000E-01 0.3738000 
1 1 1 17 6  38 o 2.9200  0.6730 0.3389000      1.346000  
1 1 1 17 6  39 o 11.660  0.2329 0.5712000E-01  0.4658000 
1 1 1 17 6  40 o 14.520  0.1966 -0.1771000     0.3932000 
1 1 1 17 6  41 o 2.7880  0.6314 0.4034000      1.263000  
1 1 1 17 6  42 o 8.8630  0.2425 0.4012000      0.4850000 
1 1 1 17 6  43 o 3.3490  0.5715 0.2160000      1.143000  
1 1 1 17 6  44 o 12.180  0.1894 0.1555000      0.3788000 
1 1 1 17 6  45 o 11.080  0.2053 0.3180000      0.4107000 
1 1 1 17 6  46 o 2.6540  0.6513 0.9212000      1.303000  
1 1 1 17 6  47 o 2.6700  0.6122 -0.6984000     1.224000  
1 1 1 17 6  48 o 4.4940  0.4362 -1.073000      0.8724000 
1 1 1 17 6  49 o 6.8680  0.2975 -0.2028000     0.5951000 
1 1 1 17 6  50 o 5.4160  0.3551 -0.3071000     0.7102000 
1 1 1 17 6  51 o 3.3780  0.5549 1.008000       1.110000  
1 1 1 17 6  52 o 9.5210  0.2276 0.1324000      0.4552000 
1 1 1 17 6  53 o 1.9360  0.5946 -0.4156000E-01 1.189000  
1 1 1 17 6  54 o 4.3120  0.5824 -0.5424000E-02 1.165000  
1 1 1 17 6  55 o 6.6400  0.3921 -0.6355000     0.7842000 
1 1 1 17 6  56 o 2.1850  0.6078 0.6300000      1.216000  
1 1 1 17 6  57 o 7.2820  0.2866 0.6595000      0.5732000 
1 1 1 17 6  58 o 3.1040  0.5482 0.2193000      1.096000  
1 1 1 17 6  59 o 3.2900  0.5382 1.306000       1.076000  
1 1 1 17 6  60 o 8.0720  0.2412 -0.7847000     0.4825000 
1 1 1 17 6  61 o 4.0580  0.4897 0.2121000      0.9794000 
1 1 1 17 6  62 o 3.0240  0.5698 -1.498000      1.140000  
1 1 1 17 6  63 o 3.5620  0.5368 -1.582000      1.074000  
1 1 1 17 6  64 o 6.9570  0.3046 0.4953000E-01  0.6092000 
1 1 1 17 6  65 o 4.2770  0.5033 0.1675000      1.007000  
1 1 1 17 7  0  o 12.310  0.2299 0.000000       0.000000  
1 1 1 17 7  1  o 14.580  0.1527 0.3132000      0.3055000 
1 1 1 17 7  2  o 17.300  0.1482 -0.3299000     0.2965000 
1 1 1 17 7  3  o 9.4380  0.2059 -0.4335000     0.4119000 
1 1 1 17 7  4  o 33.450  0.2095 0.2753000      0.4191000 
1 1 1 17 7  5  o 17.430  0.1827 -0.1302000     0.3653000 
1 1 1 17 7  6  o 7.0820  0.3382 0.1593000      0.6764000 
1 1 1 17 7  7  o 17.040  0.1800 0.3751000      0.3600000 
1 1 1 17 7  8  o 21.600  0.1491 0.1603000E-01  0.2982000 
1 1 1 17 7  9  o 22.090  0.1861 -1.408000      0.3721000 
1 1 1 17 7  10 o 17.870  0.1655 -0.3618000     0.3310000 
1 1 1 17 7  11 o 11.900  0.1769 0.4344000      0.3538000 
1 1 1 17 7  12 o 12.550  0.1714 0.3413000E-02  0.3428000 
1 1 1 17 7  13 f 6.5660  0.2810 1.568000       0.5620000 
1 1 1 17 7  14 o 8.0420  0.2370 0.1342000      0.4739000 
1 1 1 17 7  15 o 8.8780  0.3070 1.117000       0.6141000 
1 1 1 17 7  16 o 4.9270  0.3887 0.4925000      0.7775000 
1 1 1 17 7  17 o 25.850  0.1607 0.3692000      0.3213000 
1 1 1 17 7  18 o 11.050  0.1979 0.4992000      0.3959000 
1 1 1 17 7  19 o 5.8490  0.4017 0.6259000E-01  0.8035000 
1 1 1 17 7  20 o 8.8060  0.2823 -0.5461000     0.5646000 
1 1 1 17 7  21 o 7.8580  0.3199 -0.2141000     0.6398000 
1 1 1 17 7  22 o 24.070  0.1927 -0.3023000     0.3854000 
1 1 1 17 7  23 o 14.310  0.2202 -0.2561000     0.4405000 
1 1 1 17 7  24 o 7.2410  0.3669 -0.6029000E-01 0.7337000 
1 1 1 17 7  25 f 17.070  0.1990 -0.5800000     0.3979000 
1 1 1 17 7  26 o 8.3040  0.3188 0.1499000      0.6377000 
1 1 1 17 7  27 o 18.650  0.1970 0.1307000      0.3939000 
1 1 1 17 7  28 o 17.160  0.2158 -0.1583000     0.4316000 
1 1 1 17 7  29 o 32.070  0.1997 0.3341000      0.3993000 
1 1 1 17 7  30 o 11.080  0.2735 -0.8508000     0.5469000 
1 1 1 17 7  31 o 18.170  0.2127 -0.2371000     0.4255000 
1 1 1 17 7  32 o 16.060  0.1816 -0.3892000     0.3632000 
1 1 1 17 7  33 o 7.3230  0.3576 -0.6751000     0.7152000 
1 1 1 17 7  34 o 4.2090  0.6004 -1.159000      1.201000  
1 1 1 17 7  35 o 12.580  0.2565 -0.1934000     0.5130000 
1 1 1 17 7  36 o 6.7670  0.4270 0.8430000      0.8539000 
1 1 1 17 7  37 o 13.890  0.1917 0.3236000      0.3834000 
1 1 1 17 7  38 o 11.520  0.2073 -0.3793000     0.4146000 
1 1 1 17 7  39 o 10.600  0.2227 0.4707000      0.4455000 
1 1 1 17 7  40 o 13.390  0.1821 -0.1255000     0.3642000 
1 1 1 17 7  41 o 15.110  0.1692 0.6457000E-01  0.3384000 
1 1 1 17 7  42 o 10.860  0.2048 0.1111000      0.4095000 
1 1 1 17 7  43 o 9.5380  0.2246 0.8804000      0.4493000 
1 1 1 17 7  44 o 6.8720  0.3467 -0.7379000E-01 0.6934000 
1 1 1 17 7  45 o 2.2800  0.6063 -0.4826000     1.213000  
1 1 1 17 7  46 o 7.8020  0.2579 -0.2777000E-01 0.5159000 
1 1 1 17 7  47 o 2.9740  0.5946 0.1265000      1.189000  
1 1 1 17 7  48 o 7.8390  0.2697 1.796000       0.5394000 
1 1 1 17 7  49 o 4.7910  0.4143 0.3538000      0.8286000 
1 1 1 17 7  50 o 4.0470  0.4843 0.4992000E-01  0.9687000 
1 1 1 17 7  51 o 4.1710  0.4677 -0.2128000     0.9355000 
1 1 1 17 7  52 f 6.7440  0.3402 -0.1186000     0.6804000 
1 1 1 17 7  53 o 5.6240  0.4121 0.8432000E-01  0.8241000 
1 1 1 17 7  54 o 7.6880  0.2722 -0.1760000E-01 0.5443000 
1 1 1 17 7  55 o 3.6960  0.5631 -0.8431000     1.126000  
1 1 1 17 7  56 o 2.3870  0.6399 0.1807000      1.280000  
1 1 1 17 7  57 o 8.9350  0.2779 0.5485000      0.5558000 
1 1 1 17 7  58 o 3.1570  0.6600 1.380000       1.320000  
1 1 1 17 7  59 o 4.8320  0.4682 -0.2168000     0.9363000 
1 1 1 17 7  60 o 5.5310  0.3445 0.3839000      0.6889000 
1 1 1 17 7  61 o 2.6170  0.6272 -0.6577000     1.254000  
1 1 1 17 7  62 o 2.4790  0.6351 -0.6973000     1.270000  
1 1 1 17 7  63 o 7.9480  0.2633 -0.5206000     0.5266000 
1 1 1 17 7  64 o 1.7890  0.5428 -0.5324000     1.086000  
1 1 1 17 7  65 o 7.0840  0.3421 0.1994000      0.6841000 
1 1 1 17 8  0  o 11.710  0.2419 0.000000       0.000000  
1 1 1 17 8  1  o 7.9160  0.2370 -0.3979000     0.4739000 
1 1 1 17 8  2  o 9.5680  0.2098 0.5874000      0.4197000 
1 1 1 17 8  3  o 19.730  0.1616 -0.2002000     0.3233000 
1 1 1 17 8  4  o 10.750  0.1990 0.3291000      0.3979000 
1 1 1 17 8  5  o 20.840  0.1816 -0.3761000     0.3633000 
1 1 1 17 8  6  o 4.5510  0.4840 -1.293000      0.9680000 
1 1 1 17 8  7  o 14.740  0.2025 0.5115000      0.4049000 
1 1 1 17 8  8  o 14.020  0.2072 0.5049000      0.4144000 
1 1 1 17 8  9  o 21.450  0.1990 0.2461000      0.3979000 
1 1 1 17 8  10 o 18.960  0.1971 0.1141000      0.3942000 
1 1 1 17 8  11 o 27.520  0.1606 0.1302000E-01  0.3213000 
1 1 1 17 8  12 o 11.940  0.1801 0.4058000      0.3603000 
1 1 1 17 8  13 o 17.440  0.1570 -0.5020000E-01 0.3141000 
1 1 1 17 8  14 o 3.2720  0.5551 -0.9696000     1.110000  
1 1 1 17 8  15 o 40.840  0.1990 -0.2649000     0.3980000 
1 1 1 17 8  16 o 11.470  0.1848 0.2004000      0.3696000 
1 1 1 17 8  17 o 5.4890  0.3408 0.7836000      0.6817000 
1 1 1 17 8  18 o 9.4770  0.2154 0.1806000      0.4307000 
1 1 1 17 8  19 o 31.370  0.1638 0.2615000      0.3276000 
1 1 1 17 8  20 o 10.890  0.2648 -0.3403000     0.5296000 
1 1 1 17 8  21 o 13.790  0.2258 -0.2421000     0.4515000 
1 1 1 17 8  22 o 7.1080  0.3807 0.7047000      0.7614000 
1 1 1 17 8  23 o 19.300  0.2024 -0.4406000     0.4047000 
1 1 1 17 8  24 o 19.890  0.1739 0.1811000      0.3478000 
1 1 1 17 8  25 o 23.960  0.1718 -0.3205000     0.3436000 
1 1 1 17 8  26 o 11.770  0.2202 -0.5228000     0.4404000 
1 1 1 17 8  27 o 19.510  0.1773 0.5478000      0.3546000 
1 1 1 17 8  28 o 8.1530  0.2961 0.2553000E-01  0.5922000 
1 1 1 17 8  29 o 23.060  0.1916 0.7795000      0.3832000 
1 1 1 17 8  30 o 15.130  0.1896 0.1068000      0.3793000 
1 1 1 17 8  31 o 2.4350  0.5850 1.059000       1.170000  
1 1 1 17 8  32 o 18.760  0.1674 0.5339000      0.3347000 
1 1 1 17 8  33 o 12.850  0.1986 0.2016000      0.3971000 
1 1 1 17 8  34 o 8.0450  0.3113 -2.772000      0.6225000 
1 1 1 17 8  35 o 5.5460  0.3915 -0.4807000     0.7831000 
1 1 1 17 8  36 o 14.560  0.1885 0.8059000E-01  0.3770000 
1 1 1 17 8  37 o 10.130  0.2184 0.6986000      0.4367000 
1 1 1 17 8  38 o 6.0840  0.3548 1.393000       0.7096000 
1 1 1 17 8  39 o 15.470  0.1674 -0.4070000     0.3348000 
1 1 1 17 8  40 o 3.7650  0.5110 -1.819000      1.022000  
1 1 1 17 8  41 o 10.950  0.2159 -0.8363000     0.4317000 
1 1 1 17 8  42 o 3.2980  0.5591 0.5972000      1.118000  
1 1 1 17 8  43 f 15.030  0.1999 -0.6690000     0.3999000 
1 1 1 17 8  44 o 5.2900  0.3716 0.2637000      0.7432000 
1 1 1 17 8  45 o 7.6050  0.2572 -1.165000      0.5144000 
1 1 1 17 8  46 o 13.920  0.1752 0.9404000      0.3503000 
1 1 1 17 8  47 f 7.3990  0.2746 0.5260000      0.5493000 
1 1 1 17 8  48 o 10.810  0.2058 0.3235000      0.4117000 
1 1 1 17 8  49 o 7.1840  0.2739 -0.1586000     0.5479000 
1 1 1 17 8  50 o 3.3230  0.5572 -0.5683000     1.114000  
1 1 1 17 8  51 o 7.8910  0.2918 0.2374000      0.5836000 
1 1 1 17 8  52 o 4.0740  0.6756 -0.4210000     1.351000  
1 1 1 17 8  53 o 2.1090  0.6216 0.3985000      1.243000  
1 1 1 17 8  54 o 8.1930  0.3075 -0.2100000     0.6150000 
1 1 1 17 8  55 o 3.7160  0.5407 0.4746000      1.081000  
1 1 1 17 8  56 o 6.5620  0.3139 0.5285000      0.6279000 
1 1 1 17 8  57 o 2.7560  0.6211 0.2890000E-01  1.242000  
1 1 1 17 8  58 o 3.7640  0.6794 -0.7022000E-01 1.359000  
1 1 1 17 8  59 o 4.1360  0.6802 -0.9822000     1.360000  
1 1 1 17 8  60 o 9.0530  0.2807 -0.1264000     0.5614000 
1 1 1 17 8  61 o 7.3260  0.3584 2.375000       0.7169000 
1 1 1 17 8  62 o 6.5830  0.3246 1.346000       0.6493000 
1 1 1 17 8  63 o 1.6890  0.5414 -0.2645000E-01 1.083000  
1 1 1 17 8  64 o 1.6220  0.5387 0.7052000E-01  1.077000  
1 1 1 17 9  0  o 12.450  0.2765 0.000000       0.000000  
1 1 1 17 9  1  o 25.620  0.1817 -0.5606000E-02 0.3634000 
1 1 1 17 9  2  o 3.5360  0.4970 2.793000       0.9941000 
1 1 1 17 9  3  o 18.720  0.1648 0.1751000      0.3296000 
1 1 1 17 9  4  o 20.850  0.1738 0.5154000      0.3476000 
1 1 1 17 9  5  o 11.550  0.2063 0.5969000      0.4125000 
1 1 1 17 9  6  o 17.130  0.1867 0.2142000      0.3735000 
1 1 1 17 9  7  o 9.7860  0.2457 -0.2614000     0.4914000 
1 1 1 17 9  8  o 12.540  0.1962 -0.1392000     0.3925000 
1 1 1 17 9  9  o 12.030  0.2239 0.2345000      0.4478000 
1 1 1 17 9  10 o 10.960  0.1994 0.3090000      0.3987000 
1 1 1 17 9  11 o 10.170  0.2123 0.1988000      0.4247000 
1 1 1 17 9  12 o 14.510  0.1753 0.5793000      0.3506000 
1 1 1 17 9  13 o 17.330  0.1535 0.3231000      0.3070000 
1 1 1 17 9  14 o 4.6060  0.4109 0.3315000      0.8219000 
1 1 1 17 9  15 o 6.7660  0.2829 -1.235000      0.5658000 
1 1 1 17 9  16 o 9.3490  0.2135 0.7626000E-01  0.4270000 
1 1 1 17 9  17 o 16.100  0.1583 0.6675000E-01  0.3167000 
1 1 1 17 9  18 f 28.180  0.1588 0.1201000      0.3176000 
1 1 1 17 9  19 o 12.560  0.2228 0.2811000      0.4455000 
1 1 1 17 9  20 o 15.140  0.2009 0.1917000      0.4019000 
1 1 1 17 9  21 o 9.5790  0.2706 -0.9066000     0.5411000 
1 1 1 17 9  22 o 15.100  0.1747 -0.3482000     0.3493000 
1 1 1 17 9  23 o 9.9290  0.2255 -0.5888000     0.4509000 
1 1 1 17 9  24 o 10.680  0.2127 -1.003000      0.4254000 
1 1 1 17 9  25 o 11.070  0.2110 0.7710000E-01  0.4219000 
1 1 1 17 9  26 o 10.660  0.2209 0.6348000      0.4418000 
1 1 1 17 9  27 o 14.610  0.1792 -0.3267000     0.3585000 
1 1 1 17 9  28 o 3.4970  0.5974 0.8586000      1.195000  
1 1 1 17 9  29 o 7.7610  0.3305 -0.1595000     0.6609000 
1 1 1 17 9  30 o 7.7650  0.3352 0.3712000      0.6705000 
1 1 1 17 9  31 o 7.9060  0.2881 0.5165000      0.5763000 
1 1 1 17 9  32 o 5.6850  0.4582 -0.2523000     0.9164000 
1 1 1 17 9  33 o 8.4730  0.3200 0.4362000      0.6401000 
1 1 1 17 9  34 o 3.2830  0.5856 -0.6912000     1.171000  
1 1 1 17 9  35 o 3.2440  0.5755 -0.2307000     1.151000  
1 1 1 17 9  36 f 12.160  0.2013 -0.3231000E-01 0.4026000 
1 1 1 17 9  37 o 8.2510  0.3080 -1.600000      0.6161000 
1 1 1 17 9  38 o 15.260  0.1964 -0.2034000     0.3928000 
1 1 1 17 9  39 o 8.2490  0.2766 -0.2087000     0.5532000 
1 1 1 17 9  40 o 8.6580  0.3244 0.2823000      0.6488000 
1 1 1 17 9  41 o 4.2180  0.5784 0.3794000      1.157000  
1 1 1 17 9  42 o 6.3550  0.3845 -0.5370000     0.7690000 
1 1 1 17 9  43 o 9.3270  0.2736 0.1365000      0.5473000 
1 1 1 17 9  44 o 4.9500  0.4829 0.6737000      0.9658000 
1 1 1 17 9  45 o 9.9590  0.2586 -0.2306000     0.5171000 
1 1 1 17 9  46 o 8.9400  0.2804 -0.1141000     0.5608000 
1 1 1 17 9  47 o 5.8770  0.4044 1.173000       0.8089000 
1 1 1 17 9  48 o 7.8610  0.3077 0.9002000      0.6153000 
1 1 1 17 9  49 o 2.8740  0.6665 0.3995000      1.333000  
1 1 1 17 9  50 o 6.4800  0.4415 0.4571000      0.8829000 
1 1 1 17 9  51 o 4.8570  0.6036 -1.092000      1.207000  
1 1 1 17 9  52 o 1.7420  0.5616 0.1786000E-01  1.123000  
1 1 1 17 9  53 o 2.9600  0.6759 -0.2166000     1.352000  
1 1 1 17 9  54 o 4.6420  0.5287 -0.8552000     1.057000  
1 1 1 17 9  55 o 3.9120  0.5873 -0.1872000     1.175000  
1 1 1 17 9  56 o 3.3600  0.5912 -1.984000      1.182000  
1 1 1 17 9  57 o 5.1660  0.3145 -0.7693000     0.6290000 
1 1 1 17 9  58 o 7.9030  0.2227 0.8072000      0.4453000 
1 1 1 17 9  59 o 2.2690  0.5826 1.132000       1.165000  
1 1 1 17 9  60 o 1.5990  0.5131 0.1823000      1.026000  
1 1 1 17 9  61 o 5.3320  0.5579 3.705000       1.116000  
1 1 1 17 9  62 o 2.1330  0.6371 0.9856000E-01  1.274000  
1 1 1 17 9  63 o 2.7500  0.7181 -0.4883000     1.436000  
1 1 1 17 9  64 o 4.5900  0.4407 0.5077000      0.8815000 
1 1 1 17 10 0  o 21.690  0.2143 0.000000       0.000000  
1 1 1 17 10 1  o 15.680  0.1579 -0.2135000E-01 0.3157000 
1 1 1 17 10 2  o 13.330  0.1697 -0.5398000     0.3394000 
1 1 1 17 10 3  o 12.340  0.1784 -0.2307000     0.3569000 
1 1 1 17 10 4  o 12.860  0.1790 0.2080000      0.3579000 
1 1 1 17 10 5  o 24.960  0.1735 -0.2986000     0.3470000 
1 1 1 17 10 6  o 11.690  0.1958 -0.9184000E-01 0.3915000 
1 1 1 17 10 7  o 20.880  0.1930 -0.1378000     0.3860000 
1 1 1 17 10 8  o 13.390  0.1852 -0.2335000     0.3703000 
1 1 1 17 10 9  o 6.7540  0.3037 -0.2091000     0.6073000 
1 1 1 17 10 10 o 17.440  0.1948 0.4122000      0.3896000 
1 1 1 17 10 11 o 23.770  0.1682 0.2408000      0.3364000 
1 1 1 17 10 12 o 9.8800  0.2934 -2.004000      0.5868000 
1 1 1 17 10 13 o 25.630  0.1547 -0.9663000E-01 0.3095000 
1 1 1 17 10 14 o 3.5900  0.5315 -1.488000      1.063000  
1 1 1 17 10 15 o 22.760  0.1405 0.3541000      0.2809000 
1 1 1 17 10 16 o 2.4750  0.5579 -1.432000      1.116000  
1 1 1 17 10 17 o 4.0930  0.4840 -1.160000      0.9681000 
1 1 1 17 10 18 o 19.020  0.1894 -0.5306000     0.3788000 
1 1 1 17 10 19 o 25.660  0.1553 -0.2076000E-01 0.3106000 
1 1 1 17 10 20 o 19.270  0.1488 0.2422000      0.2977000 
1 1 1 17 10 21 o 12.300  0.1590 -0.1626000     0.3180000 
1 1 1 17 10 22 o 1.6130  0.4953 0.4204000      0.9905000 
1 1 1 17 10 23 o 10.210  0.2065 0.3229000E-01  0.4130000 
1 1 1 17 10 24 o 13.200  0.1751 0.8553000E-01  0.3502000 
1 1 1 17 10 25 o 14.710  0.1637 -0.7141000E-01 0.3274000 
1 1 1 17 10 26 o 9.9050  0.2163 1.243000       0.4326000 
1 1 1 17 10 27 o 2.9260  0.5285 1.427000       1.057000  
1 1 1 17 10 28 o 9.0550  0.2846 -0.1477000     0.5691000 
1 1 1 17 10 29 o 15.580  0.3143 ?              ?         
1 1 1 17 10 30 o 1.5310  0.5166 -0.9797000E-01 1.033000  
1 1 1 17 10 31 o 11.090  0.2573 -0.2780000     0.5145000 
1 1 1 17 10 32 o 10.700  0.2483 0.1034000      0.4965000 
1 1 1 17 10 33 o 14.400  0.2146 -0.3165000     0.4293000 
1 1 1 17 10 34 o 10.210  0.3200 1.356000       0.6401000 
1 1 1 17 10 35 o 18.170  0.1880 0.1549000      0.3759000 
1 1 1 17 10 36 o 10.450  0.2302 -0.1177000     0.4604000 
1 1 1 17 10 37 o 6.4970  0.3608 1.231000       0.7215000 
1 1 1 17 10 38 o 13.490  0.1938 0.3368000      0.3875000 
1 1 1 17 10 39 o 2.1060  0.6118 0.2541000E-01  1.224000  
1 1 1 17 10 40 o 14.810  0.1789 0.3132000E-01  0.3578000 
1 1 1 17 10 41 o 4.5600  0.5507 -0.9319000     1.101000  
1 1 1 17 10 42 o 5.6840  0.3588 -0.1068000     0.7177000 
1 1 1 17 10 43 o 3.9120  0.5700 2.730000       1.140000  
1 1 1 17 10 44 o 2.5380  0.6211 -1.314000      1.242000  
1 1 1 17 10 45 o 2.4820  0.6551 -0.3601000     1.310000  
1 1 1 17 10 46 o 4.2010  0.5622 -0.6568000     1.124000  
1 1 1 17 10 47 o 8.8400  0.2819 -0.8825000E-01 0.5637000 
1 1 1 17 10 48 o 5.5300  0.4255 0.2998000      0.8509000 
1 1 1 17 10 49 f 7.5680  0.3890 -0.8055000E-01 0.7780000 
1 1 1 17 10 50 o 3.9020  0.7009 1.234000       1.402000  
1 1 1 17 10 51 o 7.2420  0.3337 0.6113000      0.6674000 
1 1 1 17 10 52 o 8.0300  0.3209 1.312000       0.6419000 
1 1 1 17 10 53 o 4.0120  0.6098 0.3024000      1.220000  
1 1 1 17 10 54 o 3.9570  0.5894 -0.4305000     1.179000  
1 1 1 17 10 55 o 2.7190  0.6958 0.2306000      1.392000  
1 1 1 17 10 56 o 2.3260  0.5773 0.8620000      1.155000  
1 1 1 17 10 57 f 9.1760  0.2435 0.5286000      0.4869000 
1 1 1 17 10 58 o 2.3970  0.5536 0.5307000      1.107000  
1 1 1 17 10 59 o 4.9530  0.3360 0.3501000      0.6719000 
1 1 1 17 10 60 o 2.4460  0.5549 1.373000       1.110000  
1 1 1 17 10 61 o 2.9760  0.5737 -0.4776000     1.147000  
1 1 1 17 10 62 o 2.7240  0.6081 0.2447000      1.216000  
1 1 1 17 10 63 o 4.5890  0.4378 1.049000       0.8757000 
1 1 1 17 11 0  o 15.030  0.2400 0.000000       0.000000  
1 1 1 17 11 1  o 18.960  0.1587 -0.4435000     0.3174000 
1 1 1 17 11 2  o 21.950  0.1573 -0.2448000     0.3145000 
1 1 1 17 11 3  o 5.3440  0.4346 -0.6689000     0.8693000 
1 1 1 17 11 4  f 3.6320  0.6081 -0.7368000     1.216000  
1 1 1 17 11 5  o 17.070  0.1749 0.3317000      0.3497000 
1 1 1 17 11 6  o 12.290  0.2273 0.2317000      0.4546000 
1 1 1 17 11 7  o 6.1310  0.3589 0.2681000      0.7177000 
1 1 1 17 11 8  o 15.280  0.1795 0.6660000      0.3590000 
1 1 1 17 11 9  o 16.660  0.2156 -1.083000      0.4311000 
1 1 1 17 11 10 o 11.740  0.2016 -0.7669000     0.4033000 
1 1 1 17 11 11 o 24.730  0.1567 -0.1444000     0.3135000 
1 1 1 17 11 12 o 9.9050  0.2572 0.2448000      0.5144000 
1 1 1 17 11 13 o 4.4260  0.4525 -0.3391000     0.9049000 
1 1 1 17 11 14 o 10.240  0.2082 0.5898000      0.4163000 
1 1 1 17 11 15 o 23.590  0.1528 -0.2996000     0.3057000 
1 1 1 17 11 16 o 22.180  0.1664 -0.1870000     0.3329000 
1 1 1 17 11 17 o 6.0570  0.3429 -0.1866000     0.6858000 
1 1 1 17 11 18 o 16.060  0.2008 0.5579000      0.4017000 
1 1 1 17 11 19 o 13.650  0.1673 0.6624000      0.3346000 
1 1 1 17 11 20 o 13.460  0.1519 -0.3846000     0.3039000 
1 1 1 17 11 21 o 17.760  0.1360 0.7648000E-02  0.2720000 
1 1 1 17 11 22 o 3.9220  0.5305 1.679000       1.061000  
1 1 1 17 11 23 o 2.9050  0.5761 0.7238000      1.152000  
1 1 1 17 11 24 o 23.950  0.1496 0.2248000      0.2992000 
1 1 1 17 11 25 o 14.380  0.1703 0.6872000      0.3406000 
1 1 1 17 11 26 o 12.880  0.1822 0.7426000      0.3645000 
1 1 1 17 11 27 o 16.130  0.1789 -0.3438000E-01 0.3579000 
1 1 1 17 11 28 o 22.550  0.1891 0.3125000      0.3783000 
1 1 1 17 11 29 o 5.1970  0.5070 -1.239000      1.014000  
1 1 1 17 11 30 o 2.5310  0.7000 -0.8161000     1.400000  
1 1 1 17 11 31 o 10.690  0.2297 -0.2989000     0.4593000 
1 1 1 17 11 32 o 6.6110  0.3835 0.4595000      0.7670000 
1 1 1 17 11 33 o 4.2010  0.5553 -1.299000      1.111000  
1 1 1 17 11 34 o 6.9990  0.3418 -0.5170000     0.6837000 
1 1 1 17 11 35 o 6.8050  0.3291 1.065000       0.6581000 
1 1 1 17 11 36 o 6.9100  0.3161 -0.2529000     0.6323000 
1 1 1 17 11 37 o 17.400  0.1767 -0.1035000     0.3535000 
1 1 1 17 11 38 o 8.8970  0.2532 0.7439000      0.5064000 
1 1 1 17 11 39 o 18.920  0.2081 0.1394000      0.4161000 
1 1 1 17 11 40 o 7.1600  0.3527 -0.4388000     0.7054000 
1 1 1 17 11 41 o 6.1450  0.3260 0.1696000      0.6520000 
1 1 1 17 11 42 o 2.2010  0.5952 -0.8396000E-01 1.190000  
1 1 1 17 11 43 o 2.6720  0.6076 0.7153000E-01  1.215000  
1 1 1 17 11 44 o 5.1510  0.3990 0.8091000      0.7981000 
1 1 1 17 11 45 o 3.8710  0.5197 1.121000       1.039000  
1 1 1 17 11 46 o 4.5520  0.5269 0.3038000      1.054000  
1 1 1 17 11 47 o 7.7330  0.3217 0.1357000      0.6433000 
1 1 1 17 11 48 o 3.1640  0.7334 1.192000       1.467000  
1 1 1 17 11 49 o 4.9730  0.6118 -1.394000      1.224000  
1 1 1 17 11 50 o 1.9530  0.5532 0.2281000      1.106000  
1 1 1 17 11 51 o 6.5110  0.3188 -0.8164000E-01 0.6376000 
1 1 1 17 11 52 o 8.1680  0.3002 -0.8383000     0.6004000 
1 1 1 17 11 53 o 7.7450  0.2899 -1.255000      0.5797000 
1 1 1 17 11 54 f 6.1890  0.3111 0.7107000E-01  0.6221000 
1 1 1 17 11 55 o 3.1520  0.5822 -0.4860000     1.164000  
1 1 1 17 11 56 o 1.9530  0.5763 -1.193000      1.153000  
1 1 1 17 11 57 o 6.7410  0.3836 0.1073000      0.7672000 
1 1 1 17 11 58 o 2.4500  0.6670 0.1474000      1.334000  
1 1 1 17 11 59 o 5.5290  0.4566 -0.7964000     0.9132000 
1 1 1 17 11 60 o 1.8970  0.5802 0.9723000      1.160000  
1 1 1 17 11 61 o 4.9180  0.3304 0.1019000      0.6608000 
1 1 1 17 11 62 o 1.6050  0.5210 0.2602000      1.042000  
1 1 1 17 11 63 o 2.0780  0.5898 -0.9266000E-01 1.180000  
1 1 1 17 12 0  o 10.560  0.3262 0.000000       0.000000  
1 1 1 17 12 1  o 27.540  0.1670 0.5960000E-01  0.3340000 
1 1 1 17 12 2  o 34.360  0.2027 0.9164000E-01  0.4054000 
1 1 1 17 12 3  o 18.210  0.1893 -0.1845000     0.3786000 
1 1 1 17 12 4  o 19.650  0.1990 0.7699000      0.3980000 
1 1 1 17 12 5  o 6.8470  0.4025 0.7830000      0.8049000 
1 1 1 17 12 6  o 8.2470  0.2929 0.6968000      0.5858000 
1 1 1 17 12 7  o 11.810  0.2079 0.7273000E-01  0.4158000 
1 1 1 17 12 8  o 11.980  0.1918 -0.5877000     0.3836000 
1 1 1 17 12 9  o 14.830  0.1714 0.2940000      0.3428000 
1 1 1 17 12 10 o 19.780  0.1571 0.5040000      0.3142000 
1 1 1 17 12 11 o 13.780  0.1766 -0.2939000E-01 0.3531000 
1 1 1 17 12 12 o 3.9430  0.5364 0.5456000E-01  1.073000  
1 1 1 17 12 13 o 7.5580  0.3119 -1.089000      0.6238000 
1 1 1 17 12 14 o 14.610  0.1715 0.3593000      0.3430000 
1 1 1 17 12 15 o 28.420  0.1589 0.7133000E-01  0.3179000 
1 1 1 17 12 16 o 9.3980  0.2215 -0.3715000     0.4431000 
1 1 1 17 12 17 o 3.6550  0.5309 1.434000       1.062000  
1 1 1 17 12 18 o 3.1780  0.8533 ?              ?         
1 1 1 17 12 19 o 14.450  0.2195 0.6922000      0.4390000 
1 1 1 17 12 20 o 6.3960  0.2906 0.5731000      0.5812000 
1 1 1 17 12 21 o 15.510  0.1828 0.5904000      0.3656000 
1 1 1 17 12 22 o 25.200  0.1519 -0.1408000     0.3038000 
1 1 1 17 12 23 o 23.200  0.1514 -0.5614000E-01 0.3029000 
1 1 1 17 12 24 o 7.5600  0.2353 0.4373000E-01  0.4706000 
1 1 1 17 12 25 o 19.000  0.1355 0.7477000E-01  0.2710000 
1 1 1 17 12 26 o 13.380  0.2224 -1.182000      0.4447000 
1 1 1 17 12 27 o 21.440  0.1715 0.1172000      0.3430000 
1 1 1 17 12 28 o 9.9810  0.3047 0.4539000      0.6093000 
1 1 1 17 12 29 o 10.0000 0.2603 0.4395000      0.5206000 
1 1 1 17 12 30 o 10.790  0.2530 0.2492000      0.5060000 
1 1 1 17 12 31 o 5.6780  0.4231 -0.2470000E-01 0.8462000 
1 1 1 17 12 32 o 13.330  0.2089 -0.2462000     0.4178000 
1 1 1 17 12 33 o 7.7080  0.3096 0.2498000E-01  0.6192000 
1 1 1 17 12 34 o 7.8260  0.2697 -0.5347000E-01 0.5395000 
1 1 1 17 12 35 o 2.9120  0.6008 0.1953000      1.202000  
1 1 1 17 12 36 o 8.6850  0.2480 -0.6211000E-01 0.4960000 
1 1 1 17 12 37 f 12.130  0.1925 0.2448000      0.3851000 
1 1 1 17 12 38 o 8.4430  0.3303 0.5732000      0.6607000 
1 1 1 17 12 39 o 2.3040  0.5976 -0.6866000     1.195000  
1 1 1 17 12 40 o 6.4210  0.3022 0.2685000      0.6044000 
1 1 1 17 12 41 o 3.9740  0.4842 0.4516000      0.9683000 
1 1 1 17 12 42 o 3.9500  0.4723 -0.6719000     0.9447000 
1 1 1 17 12 43 o 6.1920  0.2982 -2.021000      0.5965000 
1 1 1 17 12 44 o 4.4260  0.4220 -0.6751000     0.8441000 
1 1 1 17 12 45 o 11.690  0.1892 -0.5722000     0.3785000 
1 1 1 17 12 46 o 3.4600  0.5334 0.6852000      1.067000  
1 1 1 17 12 47 o 3.2360  0.5493 0.7043000      1.099000  
1 1 1 17 12 48 o 8.9680  0.2535 0.7940000      0.5070000 
1 1 1 17 12 49 o 6.1680  0.2998 0.5444000      0.5997000 
1 1 1 17 12 50 o 3.6810  0.5302 1.803000       1.060000  
1 1 1 17 12 51 o 2.5970  0.6260 -0.4217000     1.252000  
1 1 1 17 12 52 o 4.5360  0.4695 0.4961000      0.9390000 
1 1 1 17 12 53 o 5.4420  0.3920 0.6805000      0.7840000 
1 1 1 17 12 54 o 3.9730  0.4931 0.8236000      0.9861000 
1 1 1 17 12 55 o 1.3960  0.4727 -0.6323000     0.9454000 
1 1 1 17 12 56 o 2.3780  0.5600 0.6298000      1.120000  
1 1 1 17 12 57 f 7.9070  0.2614 0.9194000      0.5228000 
1 1 1 17 12 58 o 2.4760  0.5877 -1.426000      1.175000  
1 1 1 17 12 59 o 3.3480  0.5385 -2.057000      1.077000  
1 1 1 17 12 60 o 3.7780  0.5287 -0.7494000     1.057000  
1 1 1 17 12 61 o 1.9390  0.5692 0.2407000      1.138000  
1 1 1 17 12 62 o 7.3850  0.3253 -0.6153000     0.6505000 
1 1 1 17 13 0  o 16.970  0.2500 0.000000       0.000000  
1 1 1 17 13 1  o 11.820  0.2450 1.368000       0.4900000 
1 1 1 17 13 2  o 17.770  0.2114 0.5316000      0.4228000 
1 1 1 17 13 3  o 8.9350  0.3180 -0.5105000     0.6360000 
1 1 1 17 13 4  o 12.770  0.2246 -0.2510000     0.4492000 
1 1 1 17 13 5  o 12.270  0.2235 0.8769000      0.4469000 
1 1 1 17 13 6  o 25.420  0.1810 -0.1437000     0.3619000 
1 1 1 17 13 7  o 18.430  0.1664 0.6220000      0.3328000 
1 1 1 17 13 8  o 10.230  0.2145 -0.1931000     0.4290000 
1 1 1 17 13 9  o 17.940  0.1592 -0.1170000     0.3184000 
1 1 1 17 13 10 o 13.690  0.1765 0.2263000      0.3530000 
1 1 1 17 13 11 o 6.9350  0.2918 -0.7152000     0.5837000 
1 1 1 17 13 12 o 11.460  0.1944 0.1157000      0.3888000 
1 1 1 17 13 13 o 11.390  0.2021 -0.5684000     0.4041000 
1 1 1 17 13 14 o 15.030  0.1823 -0.1762000     0.3645000 
1 1 1 17 13 15 o 13.230  0.1940 0.6679000      0.3879000 
1 1 1 17 13 16 o 11.730  0.1908 -0.5794000     0.3817000 
1 1 1 17 13 17 o 6.3100  0.3171 0.3845000      0.6341000 
1 1 1 17 13 18 o 10.060  0.2915 0.3329000E-02  0.5830000 
1 1 1 17 13 19 o 18.280  0.2043 0.4033000      0.4085000 
1 1 1 17 13 20 o 10.480  0.1960 0.1622000      0.3921000 
1 1 1 17 13 21 o 18.530  0.1785 0.4355000      0.3569000 
1 1 1 17 13 22 o 13.070  0.2107 0.1675000      0.4214000 
1 1 1 17 13 23 o 13.550  0.1847 0.4496000      0.3694000 
1 1 1 17 13 24 o 22.640  0.1406 -0.2758000     0.2812000 
1 1 1 17 13 25 o 23.360  0.1471 -0.2629000     0.2942000 
1 1 1 17 13 26 o 9.4020  0.2247 0.9524000      0.4494000 
1 1 1 17 13 27 o 2.6830  0.5570 1.205000       1.114000  
1 1 1 17 13 28 o 25.510  0.2157 -0.3547000     0.4314000 
1 1 1 17 13 29 o 10.520  0.2578 0.1338000      0.5156000 
1 1 1 17 13 30 o 19.990  0.1849 0.6999000E-01  0.3697000 
1 1 1 17 13 31 o 14.880  0.2052 0.8787000      0.4104000 
1 1 1 17 13 32 o 7.2740  0.3408 0.7371000      0.6815000 
1 1 1 17 13 33 o 4.9440  0.4232 0.1681000      0.8464000 
1 1 1 17 13 34 o 8.6000  0.2494 0.7797000E-02  0.4988000 
1 1 1 17 13 35 o 4.5580  0.4372 -0.2364000     0.8744000 
1 1 1 17 13 36 o 13.350  0.1875 0.5107000      0.3750000 
1 1 1 17 13 37 o 5.7030  0.4869 -0.7800000     0.9739000 
1 1 1 17 13 38 o 11.840  0.1870 0.6218000      0.3741000 
1 1 1 17 13 39 o 3.7670  0.4777 0.2284000      0.9554000 
1 1 1 17 13 40 o 2.8570  0.5346 -0.9042000     1.069000  
1 1 1 17 13 41 o 9.1370  0.2877 -0.5102000     0.5753000 
1 1 1 17 13 42 o 9.9590  0.3546 ?              ?         
1 1 1 17 13 43 o 9.3990  0.3165 -0.4948000     0.6329000 
1 1 1 17 13 44 f 9.8630  0.3051 -0.7334000     0.6102000 
1 1 1 17 13 45 o 7.1510  0.3912 0.1738000      0.7823000 
1 1 1 17 13 46 o 8.8860  0.3627 0.5692000      0.7255000 
1 1 1 17 13 47 o 8.1080  0.4160 0.2738000E-01  0.8320000 
1 1 1 17 13 48 o 6.7210  0.4271 -1.751000      0.8541000 
1 1 1 17 13 49 o 5.0160  0.5505 -0.8575000     1.101000  
1 1 1 17 13 50 o 2.6930  0.5256 0.4113000      1.051000  
1 1 1 17 13 51 o 3.5290  0.4878 0.9642000      0.9756000 
1 1 1 17 13 52 o 2.3270  0.4524 1.214000       0.9048000 
1 1 1 17 13 53 o 9.2320  0.2114 0.6987000      0.4229000 
1 1 1 17 13 54 o 3.1220  0.5406 0.1270000      1.081000  
1 1 1 17 13 55 o 5.9120  0.3296 0.7439000      0.6593000 
1 1 1 17 13 56 o 3.4170  0.5242 1.490000       1.048000  
1 1 1 17 13 57 o 3.1830  0.5549 -1.525000      1.110000  
1 1 1 17 13 58 o 2.6920  0.5684 0.7313000      1.137000  
1 1 1 17 13 59 o 3.1380  0.5836 -0.4274000     1.167000  
1 1 1 17 13 60 o 4.0840  0.4964 0.1657000      0.9929000 
1 1 1 17 13 61 o 1.5820  0.5126 0.8940000E-02  1.025000  
1 1 1 17 14 0  o 28.870  0.2451 0.000000       0.000000  
1 1 1 17 14 1  o 1.9940  0.6333 0.4717000      1.267000  
1 1 1 17 14 2  o 4.2600  0.6468 0.3051000      1.294000  
1 1 1 17 14 3  o 12.350  0.2271 0.2737000      0.4542000 
1 1 1 17 14 4  o 19.430  0.1833 0.2308000      0.3666000 
1 1 1 17 14 5  o 7.1900  0.3407 -0.1800000     0.6814000 
1 1 1 17 14 6  o 11.490  0.2155 -0.2195000E-01 0.4311000 
1 1 1 17 14 7  o 13.820  0.1892 -0.4388000     0.3783000 
1 1 1 17 14 8  o 6.8840  0.3195 -0.4286000     0.6391000 
1 1 1 17 14 9  o 9.8690  0.2321 0.1882000      0.4642000 
1 1 1 17 14 10 o 8.5790  0.2500 0.8595000E-02  0.5001000 
1 1 1 17 14 11 o 17.010  0.1581 -0.2887000     0.3161000 
1 1 1 17 14 12 o 15.410  0.1642 -0.4106000     0.3284000 
1 1 1 17 14 13 o 2.8440  0.5938 -1.348000      1.188000  
1 1 1 17 14 14 o 11.600  0.1909 -0.4958000     0.3817000 
1 1 1 17 14 15 o 6.0120  0.3467 0.3459000      0.6933000 
1 1 1 17 14 16 o 6.4100  0.3776 0.5751000      0.7552000 
1 1 1 17 14 17 o 15.130  0.1615 0.1263000      0.3229000 
1 1 1 17 14 18 o 9.2850  0.2452 0.3571000      0.4904000 
1 1 1 17 14 19 o 6.0240  0.4571 -1.130000      0.9142000 
1 1 1 17 14 20 o 7.9810  0.3310 -0.7811000E-01 0.6620000 
1 1 1 17 14 21 o 9.4390  0.2218 -0.4060000     0.4436000 
1 1 1 17 14 22 o 4.6030  0.5386 0.3538000      1.077000  
1 1 1 17 14 23 o 8.0070  0.3676 -0.3150000     0.7352000 
1 1 1 17 14 24 o 4.9790  0.3870 -0.4147000     0.7740000 
1 1 1 17 14 25 o 23.830  0.1420 0.3954000      0.2841000 
1 1 1 17 14 26 o 5.4040  0.3647 0.6664000      0.7293000 
1 1 1 17 14 27 o 3.7910  0.4843 -0.3688000     0.9687000 
1 1 1 17 14 28 o 16.360  0.1466 0.4602000      0.2932000 
1 1 1 17 14 29 o 13.740  0.2143 -0.1051000     0.4286000 
1 1 1 17 14 30 o 11.920  0.2318 0.2586000      0.4636000 
1 1 1 17 14 31 o 7.4380  0.2899 -1.563000      0.5798000 
1 1 1 17 14 32 o 8.1320  0.2745 0.6845000      0.5489000 
1 1 1 17 14 33 o 2.9630  0.5531 1.473000       1.106000  
1 1 1 17 14 34 o 7.5070  0.2830 0.8364000      0.5660000 
1 1 1 17 14 35 o 12.790  0.3058 -0.3164000     0.6116000 
1 1 1 17 14 36 o 11.940  0.1846 -0.5024000     0.3692000 
1 1 1 17 14 37 o 7.2960  0.3844 1.257000       0.7687000 
1 1 1 17 14 38 o 6.0810  0.4583 0.5521000      0.9166000 
1 1 1 17 14 39 o 11.230  0.2851 -1.187000      0.5701000 
1 1 1 17 14 40 o 3.5650  0.6935 -0.5005000     1.387000  
1 1 1 17 14 41 o 5.7760  0.4566 -1.690000      0.9132000 
1 1 1 17 14 42 o 9.1280  0.2859 1.036000       0.5718000 
1 1 1 17 14 43 o 6.6790  0.3871 0.6289000      0.7741000 
1 1 1 17 14 44 o 8.7300  0.3148 -0.5272000     0.6296000 
1 1 1 17 14 45 o 9.6240  0.3665 -0.1245000E-01 0.7331000 
1 1 1 17 14 46 f 2.3520  0.9678 ?              ?         
1 1 1 17 14 47 o 6.7250  0.3899 -0.5472000     0.7798000 
1 1 1 17 14 48 o 2.6100  0.6728 0.9126000      1.346000  
1 1 1 17 14 49 o 3.4440  0.6544 -0.1931000     1.309000  
1 1 1 17 14 50 o 7.7230  0.3302 -0.7485000     0.6605000 
1 1 1 17 14 51 o 6.5380  0.3756 0.4484000      0.7512000 
1 1 1 17 14 52 o 6.3010  0.3845 0.2148000E-01  0.7691000 
1 1 1 17 14 53 o 4.9000  0.4909 -0.3652000E-01 0.9818000 
1 1 1 17 14 54 o 3.8480  0.6176 -0.1085000     1.235000  
1 1 1 17 14 55 o 2.9900  0.6779 0.6414000      1.356000  
1 1 1 17 14 56 o 9.1190  0.2937 0.5764000      0.5873000 
1 1 1 17 14 57 o 2.6050  0.6776 -0.4997000     1.355000  
1 1 1 17 14 58 o 2.6940  0.5457 0.6015000      1.091000  
1 1 1 17 14 59 o 2.3750  0.5939 -0.3435000     1.188000  
1 1 1 17 14 60 o 4.5360  0.5516 2.745000       1.103000  
1 1 1 17 15 0  o 3.5480  1.2710 0.000000       0.000000  
1 1 1 17 15 1  o 5.3730  0.5076 -0.8057000     1.015000  
1 1 1 17 15 2  o 8.2850  0.2670 -0.5929000     0.5341000 
1 1 1 17 15 3  o 17.860  0.1732 0.6000000      0.3464000 
1 1 1 17 15 4  o 8.1280  0.2875 -0.7549000     0.5749000 
1 1 1 17 15 5  o 22.830  0.1585 0.2823000E-03  0.3170000 
1 1 1 17 15 6  o 13.240  0.1930 -0.2331000     0.3859000 
1 1 1 17 15 7  o 2.5600  0.6500 0.4347000E-01  1.300000  
1 1 1 17 15 8  o 13.790  0.1882 0.1252000      0.3764000 
1 1 1 17 15 9  o 16.220  0.1720 0.1367000      0.3440000 
1 1 1 17 15 10 o 21.050  0.1588 -0.1035000     0.3176000 
1 1 1 17 15 11 o 10.720  0.2104 -0.5361000     0.4209000 
1 1 1 17 15 12 f 8.7890  0.2459 -0.2497000     0.4918000 
1 1 1 17 15 13 o 4.4450  0.4781 0.1890000      0.9562000 
1 1 1 17 15 14 o 6.1800  0.3379 -0.6278000     0.6759000 
1 1 1 17 15 15 o 14.480  0.1772 -0.5189000     0.3545000 
1 1 1 17 15 16 o 8.9080  0.2406 0.3703000      0.4811000 
1 1 1 17 15 17 o 4.1420  0.5078 0.4273000      1.016000  
1 1 1 17 15 18 o 1.7750  0.5470 0.2466000      1.094000  
1 1 1 17 15 19 o 6.0750  0.3784 -0.6828000     0.7568000 
1 1 1 17 15 20 o 10.340  0.2338 0.4486000      0.4677000 
1 1 1 17 15 21 o 10.210  0.2206 0.4997000      0.4411000 
1 1 1 17 15 22 o 9.8140  0.3276 0.2632000E-01  0.6552000 
1 1 1 17 15 23 o 10.770  0.3067 0.8732000E-01  0.6135000 
1 1 1 17 15 24 o 3.8120  0.4771 -1.313000      0.9543000 
1 1 1 17 15 25 o 12.930  0.1758 -0.2154000     0.3516000 
1 1 1 17 15 26 o 12.450  0.1739 -0.3801000     0.3478000 
1 1 1 17 15 27 o 12.050  0.1659 0.1441000      0.3317000 
1 1 1 17 15 28 o 10.560  0.1777 -0.4027000     0.3554000 
1 1 1 17 15 29 o 9.2070  0.1809 -0.1633000     0.3618000 
1 1 1 17 15 30 o 4.0350  0.5153 -0.8547000     1.031000  
1 1 1 17 15 31 o 2.4960  0.6267 -0.4293000     1.253000  
1 1 1 17 15 32 o 4.0470  0.6939 -0.8336000     1.388000  
1 1 1 17 15 33 o 5.1090  0.6019 -1.131000      1.204000  
1 1 1 17 15 34 o 10.860  0.2914 0.3870000      0.5829000 
1 1 1 17 15 35 o 14.320  0.2237 -0.9863000     0.4475000 
1 1 1 17 15 36 o 3.9840  0.5988 0.8942000      1.198000  
1 1 1 17 15 37 o 10.030  0.2555 0.1640000      0.5110000 
1 1 1 17 15 38 o 6.8570  0.3639 -0.2700000     0.7279000 
1 1 1 17 15 39 o 2.7060  0.6843 -0.1047000     1.369000  
1 1 1 17 15 40 o 4.0660  0.6107 0.3693000      1.221000  
1 1 1 17 15 41 o 4.4120  0.5622 1.016000       1.124000  
1 1 1 17 15 42 o 1.7320  0.5574 0.3883000      1.115000  
1 1 1 17 15 43 o 9.8780  0.3356 0.1648000E-01  0.6712000 
1 1 1 17 15 44 o 4.0660  0.7090 -0.7827000     1.418000  
1 1 1 17 15 45 o 2.7360  0.6866 -0.4334000E-01 1.373000  
1 1 1 17 15 46 o 4.2310  0.5985 2.297000       1.197000  
1 1 1 17 15 47 o 7.0600  0.3929 -2.491000      0.7857000 
1 1 1 17 15 48 o 5.8200  0.4270 -0.4660000     0.8541000 
1 1 1 17 15 49 o 5.8170  0.4345 -0.7169000     0.8691000 
1 1 1 17 15 50 o 3.0260  0.6796 0.1583000E-01  1.359000  
1 1 1 17 15 51 o 2.1050  0.6282 -0.7034000E-01 1.256000  
1 1 1 17 15 52 o 4.3550  0.5584 0.8085000      1.117000  
1 1 1 17 15 53 o 9.9680  0.2717 -0.7417000     0.5434000 
1 1 1 17 15 54 o 2.3590  0.6545 -0.4945000     1.309000  
1 1 1 17 15 55 o 3.9700  0.6239 -0.5272000E-01 1.248000  
1 1 1 17 15 56 o 3.2580  0.6819 -0.4231000     1.364000  
1 1 1 17 15 57 o 1.9980  0.6205 0.3142000      1.241000  
1 1 1 17 15 58 o 2.0160  0.6234 -0.2299000     1.247000  
1 1 1 17 15 59 o 3.1810  0.6983 -0.6322000     1.397000  
1 1 1 17 16 0  o 7.0970  0.5256 0.000000       0.000000  
1 1 1 17 16 1  o 8.7090  0.3395 -0.1561000     0.6790000 
1 1 1 17 16 2  o 21.390  0.1975 -0.5129000     0.3950000 
1 1 1 17 16 3  o 17.000  0.1774 0.3956000      0.3548000 
1 1 1 17 16 4  o 9.0330  0.2533 -1.138000      0.5065000 
1 1 1 17 16 5  o 5.0180  0.4555 1.667000       0.9110000 
1 1 1 17 16 6  o 15.300  0.1700 -0.2547000     0.3399000 
1 1 1 17 16 7  o 5.8280  0.3688 0.1779000      0.7376000 
1 1 1 17 16 8  o 20.010  0.1527 0.2496000      0.3055000 
1 1 1 17 16 9  o 3.5930  0.5856 0.3890000      1.171000  
1 1 1 17 16 10 o 13.810  0.1770 -0.9356000     0.3540000 
1 1 1 17 16 11 o 7.9440  0.2673 -1.375000      0.5345000 
1 1 1 17 16 12 o 5.5730  0.3555 0.8669000E-01  0.7109000 
1 1 1 17 16 13 o 13.710  0.1693 -0.1389000     0.3385000 
1 1 1 17 16 14 o 4.7250  0.4657 -0.8217000     0.9314000 
1 1 1 17 16 15 o 9.1440  0.2352 -0.6783000     0.4704000 
1 1 1 17 16 16 o 16.480  0.1617 0.7955000E-01  0.3233000 
1 1 1 17 16 17 o 7.6470  0.2729 0.4568000      0.5458000 
1 1 1 17 16 18 o 8.5010  0.2646 0.4692000      0.5293000 
1 1 1 17 16 19 o 12.870  0.1761 -0.4970000     0.3522000 
1 1 1 17 16 20 o 3.9580  0.5672 -0.9413000     1.134000  
1 1 1 17 16 21 o 3.4580  0.6208 -1.502000      1.242000  
1 1 1 17 16 22 o 4.6350  0.5172 -1.115000      1.034000  
1 1 1 17 16 23 o 9.5750  0.2968 -0.2768000     0.5936000 
1 1 1 17 16 24 o 10.650  0.2828 -0.3007000     0.5656000 
1 1 1 17 16 25 o 17.070  0.1562 -0.2651000     0.3124000 
1 1 1 17 16 26 o 1.7630  0.5304 0.1121000      1.061000  
1 1 1 17 16 27 o 13.840  0.1726 -0.1793000     0.3451000 
1 1 1 17 16 28 o 18.570  0.1594 -0.4216000     0.3187000 
1 1 1 17 16 29 o 8.4310  0.2382 0.5676000E-01  0.4765000 
1 1 1 17 16 30 o 11.910  0.1808 0.2921000      0.3616000 
1 1 1 17 16 31 o 5.4760  0.6193 -1.927000      1.239000  
1 1 1 17 16 32 o 12.730  0.2773 -0.4842000     0.5546000 
1 1 1 17 16 33 o 5.6400  0.4975 -0.5494000     0.9950000 
1 1 1 17 16 34 o 4.3550  0.6254 -0.8295000E-01 1.251000  
1 1 1 17 16 35 f 7.5980  0.3636 -0.4405000     0.7272000 
1 1 1 17 16 36 o 5.0180  0.5029 0.4460000      1.006000  
1 1 1 17 16 37 o 5.1080  0.4639 -1.051000      0.9278000 
1 1 1 17 16 38 o 4.4320  0.5401 0.4535000      1.080000  
1 1 1 17 16 39 o 10.290  0.2517 0.4426000E-01  0.5034000 
1 1 1 17 16 40 o 14.970  0.1995 0.1123000      0.3991000 
1 1 1 17 16 41 o 7.9610  0.3049 0.6915000      0.6097000 
1 1 1 17 16 42 o 4.8900  0.5852 -1.641000      1.170000  
1 1 1 17 16 43 o 2.3950  0.6544 1.405000       1.309000  
1 1 1 17 16 44 o 5.7330  0.4061 0.1354000      0.8122000 
1 1 1 17 16 45 o 12.210  0.2522 0.3538000      0.5044000 
1 1 1 17 16 46 o 6.3820  0.4132 -0.8414000E-01 0.8264000 
1 1 1 17 16 47 o 5.7000  0.4011 -0.1018000     0.8021000 
1 1 1 17 16 48 o 6.1970  0.3747 0.2338000      0.7494000 
1 1 1 17 16 49 o 4.0040  0.5781 0.9845000      1.156000  
1 1 1 17 16 50 o 5.7610  0.4025 -0.4410000     0.8051000 
1 1 1 17 16 51 o 2.0190  0.6148 -0.4425000     1.230000  
1 1 1 17 16 52 o 3.2160  0.6092 -2.021000      1.218000  
1 1 1 17 16 53 o 3.5580  0.6574 -0.8589000     1.315000  
1 1 1 17 16 54 o 2.3170  0.6528 0.8071000      1.306000  
1 1 1 17 16 55 o 2.3880  0.6747 0.2307000      1.349000  
1 1 1 17 16 56 o 2.3240  0.6684 -0.2778000E-02 1.337000  
1 1 1 17 16 57 o 2.1870  0.6504 -0.8632000E-01 1.301000  
1 1 1 17 16 58 o 5.8470  0.4451 0.6529000E-01  0.8902000 
1 1 1 17 17 0  o 1.7780  1.2000 0.000000       0.000000  
1 1 1 17 17 1  o 6.2420  0.6240 0.000000       0.000000  
1 1 1 17 17 2  o 1.7110  1.0760 0.000000       0.000000  
1 1 1 17 17 3  o 12.330  0.3566 0.000000       0.000000  
1 1 1 17 17 4  o 9.1210  0.3820 0.000000       0.000000  
1 1 1 17 17 5  o 33.700  0.2324 0.000000       0.000000  
1 1 1 17 17 6  o 2.3680  1.1570 0.000000       0.000000  
1 1 1 17 17 7  o 13.740  0.2690 0.000000       0.000000  
1 1 1 17 17 8  o 10.990  0.3147 0.000000       0.000000  
1 1 1 17 17 9  o 9.2820  0.3511 0.000000       0.000000  
1 1 1 17 17 10 o 10.070  0.3244 0.000000       0.000000  
1 1 1 17 17 11 o 8.6370  0.3627 0.000000       0.000000  
1 1 1 17 17 12 o 6.5170  0.4617 0.000000       0.000000  
1 1 1 17 17 13 o 7.6250  0.3912 0.000000       0.000000  
1 1 1 17 17 14 o 3.8530  0.7777 0.000000       0.000000  
1 1 1 17 17 15 o 1.4350  0.8938 0.000000       0.000000  
1 1 1 17 17 16 o 8.4890  0.3236 0.000000       0.000000  
1 1 1 17 17 17 o 7.3750  0.3594 0.000000       0.000000  
1 1 1 17 17 18 o 12.810  0.2292 0.000000       0.000000  
1 1 1 17 17 19 o 0.9360  0.6613 0.000000       0.000000  
1 1 1 17 17 20 o 11.590  0.5465 0.000000       0.000000  
1 1 1 17 17 21 o 9.0130  0.3664 0.000000       0.000000  
1 1 1 17 17 22 o 1.2280  0.8337 0.000000       0.000000  
1 1 1 17 17 23 o 10.840  0.5276 0.000000       0.000000  
1 1 1 17 17 24 o 3.3010  1.3150 0.000000       0.000000  
1 1 1 17 17 25 o 0.8580  0.6272 0.000000       0.000000  
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1 1 1 18 1  0  o 8.1610  0.3865 0.000000       0.000000  
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1 1 1 18 1  2  o 7.2280  0.3393 0.7590000      0.6786000 
1 1 1 18 1  3  o 21.150  0.2213 0.1177000      0.4427000 
1 1 1 18 1  4  o 11.930  0.1769 -0.3120000     0.3539000 
1 1 1 18 1  5  o 11.940  0.1931 0.6530000      0.3862000 
1 1 1 18 1  6  o 25.640  0.1902 0.4438000      0.3804000 
1 1 1 18 1  7  o 7.7390  0.2695 -0.4856000     0.5390000 
1 1 1 18 1  8  o 29.680  0.1651 -0.2658000E-01 0.3302000 
1 1 1 18 1  9  o 10.020  0.2331 1.031000       0.4662000 
1 1 1 18 1  10 o 3.4600  0.6136 -0.6364000     1.227000  
1 1 1 18 1  11 o 8.1240  0.2381 -0.5863000     0.4762000 
1 1 1 18 1  12 o 14.990  0.1651 -0.7162000     0.3303000 
1 1 1 18 1  13 f 5.1240  0.3783 -1.553000      0.7565000 
1 1 1 18 1  14 o 7.2820  0.2696 0.5548000      0.5391000 
1 1 1 18 1  15 o 19.430  0.1770 -0.5160000     0.3540000 
1 1 1 18 1  16 o 16.300  0.1866 -0.5756000     0.3732000 
1 1 1 18 1  17 o 12.360  0.2151 0.7891000E-01  0.4301000 
1 1 1 18 1  18 o 29.430  0.1906 0.1406000      0.3813000 
1 1 1 18 1  19 o 15.640  0.1976 0.4757000      0.3951000 
1 1 1 18 1  20 o 6.9240  0.3808 0.5976000      0.7615000 
1 1 1 18 1  21 o 27.820  0.2086 0.1508000      0.4173000 
1 1 1 18 1  22 o 10.280  0.2815 -0.1033000     0.5629000 
1 1 1 18 1  23 o 13.090  0.2444 0.2231000      0.4888000 
1 1 1 18 1  24 o 2.4480  0.6981 0.3298000E-01  1.396000  
1 1 1 18 1  25 o 9.1800  0.3208 -0.3132000     0.6416000 
1 1 1 18 1  26 o 16.730  0.2269 0.6921000E-01  0.4537000 
1 1 1 18 1  27 o 20.070  0.1987 -0.6233000     0.3973000 
1 1 1 18 1  28 o 4.2470  0.6086 2.603000       1.217000  
1 1 1 18 1  29 o 5.5880  0.4937 -0.7651000     0.9874000 
1 1 1 18 1  30 o 19.370  0.2020 -0.2850000     0.4039000 
1 1 1 18 1  31 o 3.7150  0.6423 -0.5052000     1.285000  
1 1 1 18 1  32 o 7.6900  0.4060 1.457000       0.8120000 
1 1 1 18 1  33 o 6.8550  0.4373 -0.4710000     0.8746000 
1 1 1 18 1  34 o 11.320  0.2424 -0.2367000     0.4848000 
1 1 1 18 1  35 o 13.570  0.2426 -0.1753000     0.4852000 
1 1 1 18 1  36 o 12.360  0.2624 -0.4091000     0.5248000 
1 1 1 18 1  37 o 15.960  0.2130 1.015000       0.4260000 
1 1 1 18 1  38 o 6.3890  0.3897 -0.3872000     0.7795000 
1 1 1 18 1  39 o 10.370  0.2559 -0.6074000E-01 0.5118000 
1 1 1 18 1  40 o 4.0880  0.6001 -0.5874000     1.200000  
1 1 1 18 1  41 o 11.190  0.2386 -0.5935000E-01 0.4771000 
1 1 1 18 1  42 o 4.2140  0.5786 0.8259000      1.157000  
1 1 1 18 1  43 o 4.2810  0.5609 -0.2755000     1.122000  
1 1 1 18 1  44 o 9.2460  0.2709 0.1835000      0.5418000 
1 1 1 18 1  45 o 7.8480  0.3086 0.2361000      0.6173000 
1 1 1 18 1  46 o 5.2940  0.4932 -0.6648000     0.9865000 
1 1 1 18 1  47 o 7.7650  0.3281 -0.6021000     0.6562000 
1 1 1 18 1  48 o 5.9970  0.3579 0.4150000      0.7158000 
1 1 1 18 1  49 o 11.740  0.2190 0.5946000      0.4379000 
1 1 1 18 1  50 o 5.9080  0.4331 -0.5172000     0.8663000 
1 1 1 18 1  51 o 5.3490  0.3558 0.8625000      0.7116000 
1 1 1 18 1  52 o 6.0910  0.3427 0.2652000E-01  0.6853000 
1 1 1 18 1  53 o 12.010  0.1873 0.5811000      0.3747000 
1 1 1 18 1  54 o 4.4250  0.4504 1.389000       0.9008000 
1 1 1 18 1  55 o 6.2990  0.3748 0.5282000      0.7497000 
1 1 1 18 1  56 o 2.2600  0.6071 -0.8011000     1.214000  
1 1 1 18 1  57 o 2.5880  0.6483 0.5938000      1.297000  
1 1 1 18 1  58 o 1.9000  0.5970 0.1879000      1.194000  
1 1 1 18 1  59 o 5.0920  0.4107 -0.1589000     0.8214000 
1 1 1 18 1  60 o 4.2120  0.5023 1.865000       1.005000  
1 1 1 18 1  61 o 5.5230  0.3666 0.5777000      0.7332000 
1 1 1 18 1  62 o 3.3080  0.5557 1.250000       1.111000  
1 1 1 18 1  63 o 1.3430  0.4632 -0.2957000     0.9265000 
1 1 1 18 1  64 f 5.7210  0.3824 0.2470000      0.7647000 
1 1 1 18 1  65 o 4.2290  0.5304 0.1158000      1.061000  
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1 1 1 18 2  3  o 5.1720  0.4583 -0.4322000     0.9165000 
1 1 1 18 2  4  o 12.020  0.2312 -0.8302000     0.4623000 
1 1 1 18 2  5  o 6.5170  0.2910 -1.408000      0.5820000 
1 1 1 18 2  6  o 11.050  0.1844 -0.2279000     0.3689000 
1 1 1 18 2  7  o 6.5400  0.3078 1.110000       0.6155000 
1 1 1 18 2  8  o 14.460  0.1648 0.2449000      0.3297000 
1 1 1 18 2  9  o 20.620  0.1651 -0.5315000     0.3301000 
1 1 1 18 2  10 f 2.4450  0.5470 -0.6474000     1.094000  
1 1 1 18 2  11 o 10.420  0.1964 -0.5612000     0.3927000 
1 1 1 18 2  12 f 11.470  0.1884 0.8235000      0.3767000 
1 1 1 18 2  13 o 27.990  0.1831 0.2620000      0.3662000 
1 1 1 18 2  14 o 20.960  0.1765 -0.3765000     0.3530000 
1 1 1 18 2  15 o 11.550  0.2170 -0.2312000     0.4339000 
1 1 1 18 2  16 o 9.2460  0.2600 0.6960000      0.5200000 
1 1 1 18 2  17 o 19.400  0.1820 0.2619000      0.3640000 
1 1 1 18 2  18 o 2.9110  0.6579 -0.8940000     1.316000  
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1 1 1 18 2  20 o 7.6150  0.3231 0.8762000      0.6461000 
1 1 1 18 2  21 o 15.960  0.1982 -0.5742000E-01 0.3965000 
1 1 1 18 2  22 o 4.7430  0.5933 1.930000       1.187000  
1 1 1 18 2  23 o 8.1540  0.3449 -0.3631000     0.6898000 
1 1 1 18 2  24 o 16.280  0.2231 0.2721000      0.4463000 
1 1 1 18 2  25 o 4.4330  0.6310 0.9541000      1.262000  
1 1 1 18 2  26 o 8.6470  0.3417 -0.3734000     0.6833000 
1 1 1 18 2  27 o 4.4840  0.5939 -0.7769000     1.188000  
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1 1 1 18 2  29 o 6.4560  0.4139 -0.4181000     0.8278000 
1 1 1 18 2  30 o 6.4760  0.3785 -0.7844000     0.7571000 
1 1 1 18 2  31 o 13.710  0.2369 -0.8029000     0.4739000 
1 1 1 18 2  32 o 8.5720  0.3711 0.3750000      0.7422000 
1 1 1 18 2  33 o 3.7960  0.6791 -1.749000      1.358000  
1 1 1 18 2  34 o 6.4950  0.5536 0.8004000      1.107000  
1 1 1 18 2  35 o 5.1150  0.5312 -0.3047000     1.062000  
1 1 1 18 2  36 o 15.820  0.2285 -0.8170000     0.4569000 
1 1 1 18 2  37 o 8.5370  0.3252 -0.8119000     0.6505000 
1 1 1 18 2  38 o 9.6560  0.2729 -0.8911000     0.5458000 
1 1 1 18 2  39 o 13.850  0.2109 -0.4196000     0.4218000 
1 1 1 18 2  40 o 5.2200  0.4740 -0.4311000     0.9479000 
1 1 1 18 2  41 o 5.0690  0.4875 0.6164000      0.9750000 
1 1 1 18 2  42 o 6.0000  0.4124 0.6042000      0.8248000 
1 1 1 18 2  43 o 10.880  0.2456 0.3640000      0.4911000 
1 1 1 18 2  44 o 14.860  0.2294 0.2789000      0.4588000 
1 1 1 18 2  45 o 3.8800  0.6009 -0.5283000     1.202000  
1 1 1 18 2  46 o 7.3880  0.3439 0.8850000      0.6879000 
1 1 1 18 2  47 o 19.530  0.1688 0.2671000      0.3376000 
1 1 1 18 2  48 o 2.6630  0.5524 -2.346000      1.105000  
1 1 1 18 2  49 o 2.9200  0.6554 0.7433000      1.311000  
1 1 1 18 2  50 f 2.8210  0.6020 -1.713000      1.204000  
1 1 1 18 2  51 o 1.9790  0.5660 -0.6684000     1.132000  
1 1 1 18 2  52 o 6.6990  0.3186 0.8617000      0.6371000 
1 1 1 18 2  53 o 9.0930  0.2574 -0.9850000     0.5147000 
1 1 1 18 2  54 o 8.0240  0.2671 0.6454000E-02  0.5341000 
1 1 1 18 2  55 o 7.7530  0.2775 0.5377000      0.5550000 
1 1 1 18 2  56 f 7.2660  0.2945 0.5521000      0.5891000 
1 1 1 18 2  57 o 2.5480  0.6365 0.2789000      1.273000  
1 1 1 18 2  58 o 9.1790  0.2638 -0.6431000     0.5276000 
1 1 1 18 2  59 o 11.220  0.1906 0.9992000      0.3812000 
1 1 1 18 2  60 o 4.5330  0.4334 -0.1414000     0.8669000 
1 1 1 18 2  61 o 4.8390  0.4273 -0.8341000     0.8546000 
1 1 1 18 2  62 o 6.0600  0.3216 -0.6433000     0.6431000 
1 1 1 18 2  63 o 1.9540  0.5720 -0.1393000     1.144000  
1 1 1 18 2  64 f 2.2090  0.5977 -0.2668000     1.195000  
1 1 1 18 2  65 o 3.6440  0.5498 -0.6834000     1.100000  
1 1 1 18 3  0  o 5.0510  0.4946 0.000000       0.000000  
1 1 1 18 3  1  o 3.1410  0.7092 -0.4490000     1.418000  
1 1 1 18 3  2  o 12.240  0.2249 0.9801000      0.4497000 
1 1 1 18 3  3  o 9.3590  0.2649 0.2136000      0.5299000 
1 1 1 18 3  4  o 17.730  0.1652 -0.2163000E-01 0.3304000 
1 1 1 18 3  5  o 18.840  0.1424 -0.2066000     0.2848000 
1 1 1 18 3  6  o 21.130  0.1431 0.8384000E-01  0.2862000 
1 1 1 18 3  7  o 25.120  0.1575 -0.2399000     0.3150000 
1 1 1 18 3  8  o 21.350  0.1702 -0.4273000     0.3404000 
1 1 1 18 3  9  o 12.630  0.1753 0.2324000      0.3505000 
1 1 1 18 3  10 o 19.380  0.1449 -0.2591000     0.2897000 
1 1 1 18 3  11 o 13.760  0.1678 -0.9148000E-01 0.3356000 
1 1 1 18 3  12 o 14.930  0.1642 0.1651000      0.3284000 
1 1 1 18 3  13 o 5.8940  0.3675 0.4114000      0.7349000 
1 1 1 18 3  14 f 24.210  0.1784 0.3613000      0.3567000 
1 1 1 18 3  15 o 5.9600  0.3914 1.331000       0.7829000 
1 1 1 18 3  16 o 6.5910  0.3580 1.130000       0.7161000 
1 1 1 18 3  17 o 24.340  0.1833 0.3111000      0.3666000 
1 1 1 18 3  18 o 34.310  0.2044 0.1124000      0.4088000 
1 1 1 18 3  19 o 14.000  0.2083 0.3351000E-01  0.4165000 
1 1 1 18 3  20 o 3.6290  0.6419 -0.5738000     1.284000  
1 1 1 18 3  21 o 30.670  0.1969 0.1621000      0.3938000 
1 1 1 18 3  22 o 23.590  0.2347 ?              ?         
1 1 1 18 3  23 o 21.320  0.1901 0.9271000E-01  0.3802000 
1 1 1 18 3  24 o 16.580  0.2024 -0.3290000     0.4049000 
1 1 1 18 3  25 o 19.800  0.2138 -0.1950000     0.4277000 
1 1 1 18 3  26 o 12.580  0.2397 -0.8472000     0.4794000 
1 1 1 18 3  27 o 13.100  0.2339 0.1851000      0.4678000 
1 1 1 18 3  28 o 9.2390  0.3027 0.3342000      0.6054000 
1 1 1 18 3  29 o 13.960  0.2309 -0.2389000     0.4618000 
1 1 1 18 3  30 o 11.080  0.2730 0.5273000E-01  0.5459000 
1 1 1 18 3  31 o 3.2370  0.8327 0.8290000      1.665000  
1 1 1 18 3  32 o 3.6480  0.8724 0.1647000      1.745000  
1 1 1 18 3  33 o 6.6640  0.7031 ?              ?         
1 1 1 18 3  34 o 5.3880  0.7229 1.683000       1.446000  
1 1 1 18 3  35 o 1.9500  0.6382 -0.1327000     1.276000  
1 1 1 18 3  36 o 4.2320  0.7477 -0.9894000     1.495000  
1 1 1 18 3  37 o 9.2560  0.3965 -0.1731000     0.7929000 
1 1 1 18 3  38 f 4.1920  0.6340 -2.809000      1.268000  
1 1 1 18 3  39 o 6.8460  0.4265 0.5208000      0.8531000 
1 1 1 18 3  40 o 11.460  0.2808 0.6353000      0.5615000 
1 1 1 18 3  41 o 5.9440  0.4854 1.394000       0.9708000 
1 1 1 18 3  42 o 4.9470  0.5103 0.4036000      1.021000  
1 1 1 18 3  43 f 4.4130  0.6384 0.2374000      1.277000  
1 1 1 18 3  44 o 9.1490  0.2905 0.8579000      0.5810000 
1 1 1 18 3  45 o 4.8390  0.4904 0.1974000      0.9808000 
1 1 1 18 3  46 o 6.7180  0.3502 0.4406000      0.7004000 
1 1 1 18 3  47 o 8.4100  0.3400 0.5618000E-01  0.6800000 
1 1 1 18 3  48 o 5.6020  0.4130 0.5242000      0.8260000 
1 1 1 18 3  49 o 3.6790  0.5864 1.175000       1.173000  
1 1 1 18 3  50 o 3.4630  0.5659 1.599000       1.132000  
1 1 1 18 3  51 o 6.6170  0.3451 -0.5638000     0.6902000 
1 1 1 18 3  52 o 7.1520  0.3335 0.4327000      0.6671000 
1 1 1 18 3  53 o 6.3620  0.3428 0.3013000      0.6857000 
1 1 1 18 3  54 o 4.1020  0.5335 -2.850000      1.067000  
1 1 1 18 3  55 o 2.4480  0.5389 2.101000       1.078000  
1 1 1 18 3  56 o 11.620  0.1844 -0.2667000     0.3689000 
1 1 1 18 3  57 o 8.2740  0.2413 0.2648000      0.4826000 
1 1 1 18 3  58 o 4.4290  0.4783 1.684000       0.9565000 
1 1 1 18 3  59 o 2.5400  0.5968 0.4334000      1.194000  
1 1 1 18 3  60 o 3.0070  0.5762 -0.6438000     1.152000  
1 1 1 18 3  61 o 7.8460  0.2625 -0.4914000     0.5250000 
1 1 1 18 3  62 o 4.4580  0.4462 0.3647000      0.8925000 
1 1 1 18 3  63 o 3.2780  0.5679 -0.3308000     1.136000  
1 1 1 18 3  64 o 4.7990  0.4277 -1.429000      0.8554000 
1 1 1 18 3  65 o 1.5920  0.5169 -0.8886000E-01 1.034000  
1 1 1 18 4  1  o 12.870  0.2362 0.2739000      0.4723000 
1 1 1 18 4  2  o 6.9580  0.2841 0.3316000      0.5682000 
1 1 1 18 4  3  o 5.8860  0.3318 0.8831000      0.6635000 
1 1 1 18 4  4  o 2.8770  0.5861 -0.4271000     1.172000  
1 1 1 18 4  5  o 6.6930  0.2642 0.8021000E-01  0.5285000 
1 1 1 18 4  6  o 14.620  0.1868 -0.5483000     0.3736000 
1 1 1 18 4  7  o 16.430  0.1719 -0.5022000E-01 0.3439000 
1 1 1 18 4  8  o 18.530  0.1699 0.5924000E-01  0.3399000 
1 1 1 18 4  9  o 25.370  0.1756 -0.5497000     0.3513000 
1 1 1 18 4  10 o 17.580  0.1568 0.1149000      0.3136000 
1 1 1 18 4  11 o 15.690  0.1605 0.1491000      0.3211000 
1 1 1 18 4  12 o 8.2350  0.2360 -0.2114000     0.4721000 
1 1 1 18 4  13 o 13.960  0.1702 0.1293000      0.3403000 
1 1 1 18 4  14 o 12.030  0.2142 -0.2469000     0.4285000 
1 1 1 18 4  15 o 11.670  0.2224 -0.5619000     0.4447000 
1 1 1 18 4  16 o 16.300  0.1902 -0.2123000     0.3805000 
1 1 1 18 4  17 o 17.800  0.1884 0.4678000      0.3767000 
1 1 1 18 4  18 o 17.310  0.1904 -0.8601000E-01 0.3807000 
1 1 1 18 4  19 o 5.3950  0.4338 -1.004000      0.8676000 
1 1 1 18 4  20 o 11.430  0.2366 -0.9037000     0.4732000 
1 1 1 18 4  21 o 17.590  0.1940 -0.3126000     0.3879000 
1 1 1 18 4  22 o 7.5660  0.3327 -0.5554000     0.6655000 
1 1 1 18 4  23 o 15.580  0.2069 0.1986000E-01  0.4138000 
1 1 1 18 4  24 o 17.650  0.1995 0.8168000E-01  0.3990000 
1 1 1 18 4  25 o 10.550  0.2675 -0.3025000E-01 0.5351000 
1 1 1 18 4  26 o 28.890  0.1761 0.1351000      0.3522000 
1 1 1 18 4  27 o 8.7000  0.3221 -0.5311000     0.6442000 
1 1 1 18 4  28 o 9.2370  0.3053 0.6371000      0.6106000 
1 1 1 18 4  29 o 11.180  0.2693 0.5296000      0.5386000 
1 1 1 18 4  30 o 9.2340  0.3063 0.1267000      0.6127000 
1 1 1 18 4  31 o 21.440  0.1948 0.4246000      0.3897000 
1 1 1 18 4  32 o 11.610  0.2701 -0.1677000     0.5403000 
1 1 1 18 4  33 o 10.040  0.3726 -0.1525000     0.7452000 
1 1 1 18 4  34 o 9.5940  0.3833 -0.4585000     0.7666000 
1 1 1 18 4  35 o 8.2230  0.3113 -0.3066000     0.6226000 
1 1 1 18 4  36 o 10.200  0.2787 0.3094000      0.5574000 
1 1 1 18 4  37 o 10.680  0.2692 -0.4192000     0.5385000 
1 1 1 18 4  38 o 8.0160  0.3221 -0.3947000     0.6443000 
1 1 1 18 4  39 o 13.820  0.2124 0.1076000      0.4248000 
1 1 1 18 4  40 o 12.220  0.2286 0.4737000      0.4572000 
1 1 1 18 4  41 o 4.2240  0.6429 1.463000       1.286000  
1 1 1 18 4  42 o 2.1140  0.6280 0.1084000      1.256000  
1 1 1 18 4  43 o 3.3660  0.6827 -0.2500000     1.365000  
1 1 1 18 4  44 o 2.5750  0.7058 -0.3270000     1.412000  
1 1 1 18 4  45 o 11.520  0.2609 0.2588000      0.5217000 
1 1 1 18 4  46 o 4.7910  0.4877 1.306000       0.9755000 
1 1 1 18 4  47 o 15.500  0.2039 0.2205000      0.4078000 
1 1 1 18 4  48 o 1.9830  0.5824 -1.162000      1.165000  
1 1 1 18 4  49 o 11.960  0.2099 -0.7509000     0.4198000 
1 1 1 18 4  50 o 10.210  0.2330 0.8485000E-01  0.4659000 
1 1 1 18 4  51 o 2.0670  0.5890 -0.2191000     1.178000  
1 1 1 18 4  52 o 5.3830  0.4032 0.2535000      0.8064000 
1 1 1 18 4  53 o 1.6630  0.5285 0.8827000      1.057000  
1 1 1 18 4  54 o 8.1790  0.2745 0.6629000      0.5489000 
1 1 1 18 4  55 o 2.3540  0.6242 -0.7264000     1.248000  
1 1 1 18 4  56 o 2.9490  0.5782 0.6627000      1.156000  
1 1 1 18 4  57 o 2.8200  0.5953 0.8091000      1.191000  
1 1 1 18 4  58 o 1.9750  0.5729 -0.1447000     1.146000  
1 1 1 18 4  59 o 3.3230  0.5113 2.207000       1.023000  
1 1 1 18 4  60 o 7.3690  0.2570 -0.3649000     0.5141000 
1 1 1 18 4  61 o 5.9720  0.3385 -0.8239000     0.6770000 
1 1 1 18 4  62 o 4.9100  0.4176 -0.5849000     0.8353000 
1 1 1 18 4  63 f 4.9110  0.3889 0.2259000      0.7777000 
1 1 1 18 4  64 o 2.2160  0.5891 -0.5295000     1.178000  
1 1 1 18 4  65 o 5.1370  0.3888 0.3639000      0.7775000 
1 1 1 18 5  0  o 2.3200  0.9916 0.000000       0.000000  
1 1 1 18 5  1  o 15.580  0.1578 0.4996000      0.3157000 
1 1 1 18 5  2  o 3.1390  0.5512 -1.621000      1.102000  
1 1 1 18 5  3  o 4.5750  0.4636 0.5426000      0.9271000 
1 1 1 18 5  4  o 6.4870  0.3391 0.6228000      0.6782000 
1 1 1 18 5  5  o 31.810  0.1907 0.2220000      0.3814000 
1 1 1 18 5  6  o 9.7330  0.2009 -0.6541000     0.4019000 
1 1 1 18 5  7  o 6.8940  0.2941 0.6844000      0.5882000 
1 1 1 18 5  8  o 24.680  0.1735 -0.4060000     0.3471000 
1 1 1 18 5  9  o 20.440  0.1553 0.5475000      0.3106000 
1 1 1 18 5  10 o 6.7600  0.2768 -0.6859000E-01 0.5535000 
1 1 1 18 5  11 o 10.230  0.2012 0.6332000      0.4023000 
1 1 1 18 5  12 o 17.770  0.1584 -0.1370000     0.3168000 
1 1 1 18 5  13 o 8.9940  0.2320 0.7997000      0.4639000 
1 1 1 18 5  14 o 24.000  0.1599 0.4288000      0.3197000 
1 1 1 18 5  15 o 8.9100  0.2347 -0.2927000     0.4694000 
1 1 1 18 5  16 o 12.380  0.2204 0.8615000E-01  0.4407000 
1 1 1 18 5  17 o 22.590  0.1848 -0.8270000     0.3696000 
1 1 1 18 5  18 o 18.990  0.1864 -0.3637000     0.3729000 
1 1 1 18 5  19 o 12.690  0.2388 1.175000       0.4777000 
1 1 1 18 5  20 o 8.3320  0.3049 -0.3713000     0.6099000 
1 1 1 18 5  21 o 13.420  0.2218 0.3124000      0.4435000 
1 1 1 18 5  22 o 7.1040  0.3581 0.3738000      0.7162000 
1 1 1 18 5  23 o 12.270  0.2355 -0.8896000     0.4709000 
1 1 1 18 5  24 o 7.5210  0.3443 -0.4906000     0.6887000 
1 1 1 18 5  25 o 19.620  0.1747 0.7909000      0.3494000 
1 1 1 18 5  26 o 11.180  0.2315 -0.1166000     0.4631000 
1 1 1 18 5  27 o 12.120  0.2228 0.2081000      0.4456000 
1 1 1 18 5  28 o 7.1550  0.3822 0.2361000      0.7643000 
1 1 1 18 5  29 o 18.990  0.1997 -0.1443000     0.3994000 
1 1 1 18 5  30 o 16.180  0.2106 -0.8730000     0.4211000 
1 1 1 18 5  31 o 9.6740  0.3004 -1.796000      0.6007000 
1 1 1 18 5  32 o 3.1270  0.7311 0.9662000E-01  1.462000  
1 1 1 18 5  33 o 12.940  0.3186 0.5741000E-01  0.6372000 
1 1 1 18 5  34 o 8.4680  0.4730 1.622000       0.9461000 
1 1 1 18 5  35 o 4.7240  0.5370 0.4040000      1.074000  
1 1 1 18 5  36 o 9.0490  0.4391 ?              ?         
1 1 1 18 5  37 o 9.8590  0.2784 0.2353000      0.5567000 
1 1 1 18 5  38 o 1.9400  0.6103 -0.3828000     1.221000  
1 1 1 18 5  39 o 18.570  0.1876 -0.2551000     0.3751000 
1 1 1 18 5  40 o 7.9090  0.3174 -0.1539000     0.6347000 
1 1 1 18 5  41 o 6.3510  0.3602 -1.009000      0.7205000 
1 1 1 18 5  42 o 10.620  0.2403 -0.3505000     0.4807000 
1 1 1 18 5  43 o 6.4080  0.3592 -0.4576000     0.7184000 
1 1 1 18 5  44 o 2.5650  0.6218 1.020000       1.244000  
1 1 1 18 5  45 o 15.250  0.2086 0.1245000E-01  0.4173000 
1 1 1 18 5  46 o 9.0500  0.2388 -0.5550000     0.4776000 
1 1 1 18 5  47 o 11.250  0.2005 -0.1158000     0.4010000 
1 1 1 18 5  48 o 12.630  0.1874 0.4737000      0.3747000 
1 1 1 18 5  49 o 1.8640  0.5800 0.4422000      1.160000  
1 1 1 18 5  50 o 6.4240  0.3524 -0.5092000     0.7048000 
1 1 1 18 5  51 o 1.7570  0.5634 0.8860000E-01  1.127000  
1 1 1 18 5  52 o 4.0330  0.6558 -1.169000      1.312000  
1 1 1 18 5  53 o 2.6410  0.6114 -1.102000      1.223000  
1 1 1 18 5  54 o 1.8350  0.5689 0.1477000      1.138000  
1 1 1 18 5  55 o 3.7530  0.5122 1.636000       1.024000  
1 1 1 18 5  56 o 3.9390  0.4942 0.8106000      0.9883000 
1 1 1 18 5  57 o 1.6600  0.5184 0.6040000E-01  1.037000  
1 1 1 18 5  58 o 7.8550  0.2677 0.3114000      0.5354000 
1 1 1 18 5  59 o 1.8860  0.5612 0.1707000      1.122000  
1 1 1 18 5  60 o 4.3840  0.4489 -0.3227000     0.8977000 
1 1 1 18 5  61 o 2.3450  0.5940 -0.5013000     1.188000  
1 1 1 18 5  62 o 5.6510  0.3535 -0.5441000     0.7070000 
1 1 1 18 5  63 o 4.0270  0.4801 0.4242000      0.9603000 
1 1 1 18 5  64 o 2.9280  0.5934 -0.6014000     1.187000  
1 1 1 18 6  0  o 11.170  0.2574 0.000000       0.000000  
1 1 1 18 6  1  o 8.2540  0.2291 0.6057000      0.4581000 
1 1 1 18 6  2  o 27.150  0.1602 -0.4154000     0.3205000 
1 1 1 18 6  3  o 16.090  0.1789 -0.1613000     0.3578000 
1 1 1 18 6  4  o 19.740  0.1727 0.3389000      0.3454000 
1 1 1 18 6  5  o 14.220  0.2064 -0.2693000     0.4128000 
1 1 1 18 6  6  o 14.760  0.1799 -0.2252000     0.3598000 
1 1 1 18 6  7  o 19.370  0.1707 -0.2281000     0.3415000 
1 1 1 18 6  8  o 8.7490  0.2486 -0.3414000E-03 0.4973000 
1 1 1 18 6  9  o 22.890  0.1560 0.3988000      0.3120000 
1 1 1 18 6  10 o 24.120  0.1577 0.7217000E-01  0.3154000 
1 1 1 18 6  11 o 9.7650  0.2540 0.3485000      0.5080000 
1 1 1 18 6  12 o 6.3030  0.3062 -0.4081000     0.6123000 
1 1 1 18 6  13 o 12.140  0.1902 0.1018000      0.3805000 
1 1 1 18 6  14 o 41.890  0.2031 -0.2585000     0.4061000 
1 1 1 18 6  15 o 22.490  0.1608 -0.5842000     0.3216000 
1 1 1 18 6  16 o 14.340  0.1784 0.1253000      0.3568000 
1 1 1 18 6  17 o 26.770  0.1894 -0.2043000     0.3787000 
1 1 1 18 6  18 o 12.390  0.2260 -0.3239000     0.4521000 
1 1 1 18 6  19 o 11.570  0.2385 0.7739000E-01  0.4770000 
1 1 1 18 6  20 o 4.2600  0.5917 2.418000       1.183000  
1 1 1 18 6  21 o 6.9310  0.3709 0.2631000      0.7418000 
1 1 1 18 6  22 o 13.790  0.2200 -0.3432000     0.4399000 
1 1 1 18 6  23 o 8.4740  0.3079 -0.4427000     0.6159000 
1 1 1 18 6  24 f 5.5560  0.4113 -1.074000      0.8225000 
1 1 1 18 6  25 o 9.4620  0.2591 -0.1278000     0.5181000 
1 1 1 18 6  26 o 12.360  0.2447 -0.1342000     0.4893000 
1 1 1 18 6  27 o 13.240  0.2116 -0.2210000     0.4232000 
1 1 1 18 6  28 o 5.6840  0.4332 0.4128000      0.8665000 
1 1 1 18 6  29 o 6.3610  0.4250 0.4155000      0.8501000 
1 1 1 18 6  30 o 12.980  0.2425 0.3235000      0.4850000 
1 1 1 18 6  31 o 8.9940  0.2804 1.148000       0.5607000 
1 1 1 18 6  32 o 10.210  0.3681 -0.1139000     0.7362000 
1 1 1 18 6  33 f 7.3630  0.4998 -1.190000      0.9996000 
1 1 1 18 6  34 o 17.330  0.1782 0.9840000      0.3565000 
1 1 1 18 6  35 o 6.1000  0.4172 0.5520000      0.8345000 
1 1 1 18 6  36 o 10.830  0.2546 0.2354000      0.5092000 
1 1 1 18 6  37 o 9.1980  0.2901 -0.4862000     0.5802000 
1 1 1 18 6  38 o 13.910  0.2446 0.6907000      0.4892000 
1 1 1 18 6  39 f 3.1340  0.6053 -2.478000      1.211000  
1 1 1 18 6  40 o 8.7680  0.2911 0.7082000      0.5823000 
1 1 1 18 6  41 f 17.490  0.1721 0.3981000      0.3442000 
1 1 1 18 6  42 o 10.580  0.2195 0.2061000      0.4389000 
1 1 1 18 6  43 o 4.7970  0.4400 -0.1250000E-01 0.8800000 
1 1 1 18 6  44 o 3.0870  0.6505 -0.6560000     1.301000  
1 1 1 18 6  45 o 10.740  0.2062 -0.6197000     0.4124000 
1 1 1 18 6  46 o 8.3580  0.2490 0.2746000E-01  0.4981000 
1 1 1 18 6  47 o 8.6870  0.2380 0.2236000      0.4759000 
1 1 1 18 6  48 o 11.090  0.2016 0.2905000      0.4032000 
1 1 1 18 6  49 o 5.8660  0.3345 -0.3833000     0.6690000 
1 1 1 18 6  50 o 8.4630  0.2438 -0.2294000     0.4876000 
1 1 1 18 6  51 o 13.940  0.1967 -0.9689000     0.3934000 
1 1 1 18 6  52 f 2.4770  0.6542 -0.3252000     1.308000  
1 1 1 18 6  53 o 1.8420  0.5514 -0.9425000     1.103000  
1 1 1 18 6  54 o 4.9140  0.4878 -0.6301000     0.9757000 
1 1 1 18 6  55 o 2.8540  0.6572 -0.9241000     1.314000  
1 1 1 18 6  56 o 4.5760  0.7425 -0.3736000     1.485000  
1 1 1 18 6  57 o 3.0040  0.5742 2.190000       1.148000  
1 1 1 18 6  58 o 2.6320  0.5719 0.8345000      1.144000  
1 1 1 18 6  59 o 8.4690  0.2542 -0.5639000     0.5084000 
1 1 1 18 6  60 o 4.8320  0.3960 -0.4033000     0.7920000 
1 1 1 18 6  61 o 5.5840  0.3296 0.3813000      0.6592000 
1 1 1 18 6  62 o 1.9040  0.5676 -0.2016000E-01 1.135000  
1 1 1 18 6  63 o 2.2480  0.6026 -0.7385000E-01 1.205000  
1 1 1 18 6  64 o 1.7340  0.5373 -0.3085000     1.075000  
1 1 1 18 7  0  o 17.320  0.2209 0.000000       0.000000  
1 1 1 18 7  1  o 14.940  0.1634 -0.2098000     0.3267000 
1 1 1 18 7  2  o 2.4910  0.5799 0.8676000      1.160000  
1 1 1 18 7  3  o 9.7370  0.2373 0.4739000      0.4746000 
1 1 1 18 7  4  o 13.960  0.2025 0.7357000      0.4050000 
1 1 1 18 7  5  o 12.570  0.2128 0.5630000      0.4255000 
1 1 1 18 7  6  o 10.820  0.2528 0.2277000      0.5056000 
1 1 1 18 7  7  o 6.3420  0.3816 0.4030000      0.7632000 
1 1 1 18 7  8  o 22.860  0.2170 ?              ?         
1 1 1 18 7  9  o 5.7800  0.3381 1.018000       0.6761000 
1 1 1 18 7  10 o 8.9070  0.2342 0.9324000      0.4684000 
1 1 1 18 7  11 o 8.3420  0.2470 0.8178000      0.4939000 
1 1 1 18 7  12 o 5.1090  0.3921 0.6336000      0.7843000 
1 1 1 18 7  13 o 13.440  0.1826 0.5093000      0.3652000 
1 1 1 18 7  14 o 18.970  0.1627 -0.5830000E-01 0.3253000 
1 1 1 18 7  15 o 7.2960  0.2897 -0.1923000     0.5793000 
1 1 1 18 7  16 o 21.750  0.1626 0.3641000      0.3251000 
1 1 1 18 7  17 o 17.670  0.1685 0.3455000E-01  0.3371000 
1 1 1 18 7  18 o 14.790  0.1798 0.1694000      0.3597000 
1 1 1 18 7  19 o 18.010  0.1967 -0.4182000     0.3934000 
1 1 1 18 7  20 o 20.590  0.1939 0.1564000      0.3878000 
1 1 1 18 7  21 o 12.960  0.2303 0.5032000      0.4607000 
1 1 1 18 7  22 o 9.2880  0.2940 0.7580000      0.5880000 
1 1 1 18 7  23 o 9.2760  0.2918 -0.4111000     0.5836000 
1 1 1 18 7  24 o 10.920  0.2391 0.3591000      0.4781000 
1 1 1 18 7  25 o 5.7060  0.4669 -0.1237000     0.9338000 
1 1 1 18 7  26 o 8.1260  0.3379 0.7528000E-01  0.6759000 
1 1 1 18 7  27 o 8.2940  0.3392 0.4255000      0.6785000 
1 1 1 18 7  28 o 8.5860  0.3589 -1.555000      0.7179000 
1 1 1 18 7  29 f 17.800  0.2295 -0.3850000     0.4589000 
1 1 1 18 7  30 o 15.960  0.2321 0.7193000      0.4643000 
1 1 1 18 7  31 o 11.010  0.3664 0.2109000E-01  0.7328000 
1 1 1 18 7  32 o 4.2090  0.7176 1.761000       1.435000  
1 1 1 18 7  33 o 12.070  0.2696 0.3090000      0.5393000 
1 1 1 18 7  34 o 10.110  0.2394 -0.3858000     0.4788000 
1 1 1 18 7  35 o 7.3600  0.3209 0.3979000      0.6418000 
1 1 1 18 7  36 o 9.4260  0.2567 -0.9143000     0.5135000 
1 1 1 18 7  37 o 18.030  0.1930 0.1268000      0.3860000 
1 1 1 18 7  38 o 12.980  0.2002 -0.2464000     0.4005000 
1 1 1 18 7  39 o 15.500  0.1770 0.7176000      0.3539000 
1 1 1 18 7  40 o 12.420  0.1960 0.2136000      0.3921000 
1 1 1 18 7  41 o 8.2010  0.2594 -0.1050000     0.5187000 
1 1 1 18 7  42 o 7.2170  0.2861 -0.8333000     0.5721000 
1 1 1 18 7  43 o 2.6720  0.6600 0.8084000      1.320000  
1 1 1 18 7  44 o 1.6260  0.5182 0.1027000      1.036000  
1 1 1 18 7  45 o 2.0770  0.5919 -0.5396000     1.184000  
1 1 1 18 7  46 o 9.6460  0.2230 1.064000       0.4460000 
1 1 1 18 7  47 o 1.5610  0.5051 -0.8952000     1.010000  
1 1 1 18 7  48 o 3.2230  0.5763 -0.3501000E-02 1.153000  
1 1 1 18 7  49 o 2.9880  0.5925 -0.3847000     1.185000  
1 1 1 18 7  50 o 2.7090  0.5787 -2.240000      1.157000  
1 1 1 18 7  51 o 4.2480  0.5324 -0.8303000E-01 1.065000  
1 1 1 18 7  52 o 9.6440  0.2373 0.4896000      0.4747000 
1 1 1 18 7  53 o 6.4030  0.3312 -0.2766000     0.6624000 
1 1 1 18 7  54 o 8.1040  0.2755 0.9806000E-01  0.5510000 
1 1 1 18 7  55 f 7.3820  0.2823 0.4900000      0.5645000 
1 1 1 18 7  56 o 2.6940  0.5943 -1.294000      1.189000  
1 1 1 18 7  57 o 4.9990  0.4552 -0.8890000     0.9105000 
1 1 1 18 7  58 o 2.9330  0.7097 1.495000       1.419000  
1 1 1 18 7  59 o 3.0840  0.5931 -1.741000      1.186000  
1 1 1 18 7  60 o 6.5710  0.3666 -0.1406000     0.7332000 
1 1 1 18 7  61 o 4.3790  0.4368 1.103000       0.8735000 
1 1 1 18 7  62 o 3.7930  0.5195 0.2110000      1.039000  
1 1 1 18 7  63 o 2.9770  0.6028 -0.1198000     1.206000  
1 1 1 18 7  64 o 3.8350  0.5915 0.5170000      1.183000  
1 1 1 18 8  0  o 15.640  0.2352 0.000000       0.000000  
1 1 1 18 8  1  o 29.790  0.1681 0.1789000      0.3363000 
1 1 1 18 8  2  o 11.200  0.2375 -0.4912000     0.4751000 
1 1 1 18 8  3  o 21.450  0.1890 -0.2582000     0.3780000 
1 1 1 18 8  4  o 5.5230  0.4262 0.3217000      0.8523000 
1 1 1 18 8  5  o 32.130  0.2450 ?              ?         
1 1 1 18 8  6  o 10.450  0.2570 -2.773000      0.5140000 
1 1 1 18 8  7  o 21.850  0.2218 0.2604000      0.4436000 
1 1 1 18 8  8  o 10.020  0.2696 -0.2836000     0.5393000 
1 1 1 18 8  9  o 8.6390  0.3050 0.3851000      0.6101000 
1 1 1 18 8  10 o 14.430  0.1780 0.1495000      0.3560000 
1 1 1 18 8  11 o 21.720  0.1614 0.1373000      0.3228000 
1 1 1 18 8  12 o 9.9250  0.2778 -0.9228000     0.5555000 
1 1 1 18 8  13 o 10.720  0.2130 -0.5348000     0.4259000 
1 1 1 18 8  14 o 10.960  0.2075 0.2913000      0.4150000 
1 1 1 18 8  15 o 8.3020  0.2592 0.1037000      0.5184000 
1 1 1 18 8  16 o 7.5100  0.2861 -0.7843000E-01 0.5723000 
1 1 1 18 8  17 o 17.100  0.1694 -0.2256000     0.3389000 
1 1 1 18 8  18 o 12.430  0.1978 0.3921000      0.3957000 
1 1 1 18 8  19 o 12.400  0.2393 0.6596000      0.4785000 
1 1 1 18 8  20 o 3.8900  0.6516 0.8979000      1.303000  
1 1 1 18 8  21 o 23.470  0.1729 0.6548000      0.3459000 
1 1 1 18 8  22 o 9.3940  0.2651 0.9145000      0.5303000 
1 1 1 18 8  23 o 11.650  0.2238 -0.5745000E-01 0.4475000 
1 1 1 18 8  24 o 5.9900  0.3816 -0.8564000     0.7632000 
1 1 1 18 8  25 o 23.070  0.2048 -0.6273000     0.4096000 
1 1 1 18 8  26 o 25.980  0.1960 0.1902000      0.3919000 
1 1 1 18 8  27 o 34.860  0.2770 0.2535000      0.5540000 
1 1 1 18 8  28 o 2.6100  0.7859 1.762000       1.572000  
1 1 1 18 8  29 o 13.140  0.3406 0.4825000      0.6812000 
1 1 1 18 8  30 o 3.7820  0.7647 -1.642000      1.529000  
1 1 1 18 8  31 o 11.510  0.3153 0.2717000      0.6305000 
1 1 1 18 8  32 o 2.4450  0.6891 -0.1018000     1.378000  
1 1 1 18 8  33 o 9.0960  0.2829 0.4359000E-01  0.5658000 
1 1 1 18 8  34 o 4.2830  0.5113 -0.9727000     1.023000  
1 1 1 18 8  35 o 11.080  0.2441 -0.6231000E-01 0.4883000 
1 1 1 18 8  36 o 8.1240  0.2724 -0.4813000     0.5448000 
1 1 1 18 8  37 o 9.2190  0.2414 -0.5547000E-01 0.4827000 
1 1 1 18 8  38 f 10.940  0.2070 0.2003000      0.4141000 
1 1 1 18 8  39 o 9.2150  0.2353 0.6832000      0.4706000 
1 1 1 18 8  40 f 5.8550  0.3388 0.1142000      0.6776000 
1 1 1 18 8  41 o 5.9940  0.3328 0.3683000      0.6656000 
1 1 1 18 8  42 o 5.2300  0.5042 0.6151000      1.008000  
1 1 1 18 8  43 o 3.5280  0.6126 1.602000       1.225000  
1 1 1 18 8  44 o 5.9830  0.3272 0.7505000      0.6544000 
1 1 1 18 8  45 o 2.4150  0.5846 -1.312000      1.169000  
1 1 1 18 8  46 o 6.8370  0.2833 -0.1293000     0.5667000 
1 1 1 18 8  47 o 5.1910  0.3716 -0.8906000     0.7431000 
1 1 1 18 8  48 o 10.460  0.2094 0.4795000      0.4189000 
1 1 1 18 8  49 o 6.5480  0.3528 1.379000       0.7057000 
1 1 1 18 8  50 o 4.4260  0.5008 -0.1014000     1.002000  
1 1 1 18 8  51 o 7.6730  0.2777 1.063000       0.5553000 
1 1 1 18 8  52 o 3.9320  0.5351 0.8795000      1.070000  
1 1 1 18 8  53 o 4.1230  0.4954 -0.4286000     0.9908000 
1 1 1 18 8  54 o 3.0810  0.5796 0.6791000      1.159000  
1 1 1 18 8  55 o 4.0440  0.4788 -0.2444000     0.9576000 
1 1 1 18 8  56 o 3.5630  0.5677 2.607000       1.135000  
1 1 1 18 8  57 f 6.5510  0.3718 1.852000       0.7435000 
1 1 1 18 8  58 o 2.4680  0.6692 -0.6637000     1.338000  
1 1 1 18 8  59 o 2.2700  0.7075 -0.2068000     1.415000  
1 1 1 18 8  60 o 2.5440  0.6822 1.052000       1.364000  
1 1 1 18 8  61 o 2.3590  0.7066 -0.8251000     1.413000  
1 1 1 18 8  62 o 1.7870  0.5866 0.6528000E-01  1.173000  
1 1 1 18 8  63 o 2.2010  0.6244 0.6706000      1.249000  
1 1 1 18 9  0  o 11.580  0.3224 0.000000       0.000000  
1 1 1 18 9  1  o 11.190  0.2195 0.1390000      0.4389000 
1 1 1 18 9  2  o 8.2420  0.3112 0.3390000      0.6225000 
1 1 1 18 9  3  o 14.930  0.2105 -0.4785000     0.4210000 
1 1 1 18 9  4  o 19.340  0.1802 0.5018000      0.3604000 
1 1 1 18 9  5  o 20.120  0.2094 0.1664000      0.4187000 
1 1 1 18 9  6  o 6.2540  0.4257 0.7277000      0.8515000 
1 1 1 18 9  7  o 17.390  0.2139 -0.7701000     0.4278000 
1 1 1 18 9  8  o 7.9590  0.3187 -0.2245000     0.6373000 
1 1 1 18 9  9  o 17.160  0.2378 ?              ?         
1 1 1 18 9  10 o 11.240  0.2326 -0.8001000     0.4651000 
1 1 1 18 9  11 o 20.170  0.1819 0.2534000      0.3637000 
1 1 1 18 9  12 o 17.170  0.2214 -0.3340000     0.4427000 
1 1 1 18 9  13 o 17.290  0.1692 0.5892000      0.3384000 
1 1 1 18 9  14 o 9.4960  0.2234 0.8806000E-01  0.4469000 
1 1 1 18 9  15 o 6.3280  0.3212 1.250000       0.6423000 
1 1 1 18 9  16 o 12.590  0.1838 -0.2623000     0.3677000 
1 1 1 18 9  17 o 22.890  0.1542 0.1825000      0.3084000 
1 1 1 18 9  18 o 10.650  0.2084 -0.8656000E-01 0.4168000 
1 1 1 18 9  19 o 30.800  0.1653 0.3779000E-01  0.3307000 
1 1 1 18 9  20 o 13.750  0.1810 0.5224000      0.3620000 
1 1 1 18 9  21 o 20.730  0.1582 0.3494000E-01  0.3163000 
1 1 1 18 9  22 o 17.790  0.1711 -0.7887000     0.3423000 
1 1 1 18 9  23 o 8.0710  0.3444 0.9609000      0.6887000 
1 1 1 18 9  24 o 12.630  0.2659 1.292000       0.5318000 
1 1 1 18 9  25 o 14.500  0.2329 -0.1555000     0.4658000 
1 1 1 18 9  26 o 17.810  0.2137 0.1309000      0.4275000 
1 1 1 18 9  27 o 7.2660  0.3720 -0.6552000     0.7440000 
1 1 1 18 9  28 o 11.180  0.2597 0.1273000      0.5195000 
1 1 1 18 9  29 o 9.8170  0.2582 0.3114000      0.5164000 
1 1 1 18 9  30 o 12.190  0.2726 -0.4764000     0.5451000 
1 1 1 18 9  31 o 6.3050  0.4440 -1.741000      0.8880000 
1 1 1 18 9  32 o 5.6400  0.4062 -0.4685000     0.8124000 
1 1 1 18 9  33 o 5.6140  0.3732 0.2787000      0.7465000 
1 1 1 18 9  34 o 11.710  0.2208 -0.1963000     0.4416000 
1 1 1 18 9  35 o 2.6920  0.5811 0.5580000      1.162000  
1 1 1 18 9  36 o 7.6370  0.2618 0.3191000      0.5236000 
1 1 1 18 9  37 o 11.110  0.2167 -0.3802000E-01 0.4333000 
1 1 1 18 9  38 o 3.6780  0.5096 1.952000       1.019000  
1 1 1 18 9  39 o 3.7010  0.4989 0.4288000      0.9978000 
1 1 1 18 9  40 o 9.8970  0.2075 0.6452000      0.4150000 
1 1 1 18 9  41 o 6.1460  0.3122 0.5665000      0.6244000 
1 1 1 18 9  42 o 2.4290  0.5625 -1.520000      1.125000  
1 1 1 18 9  43 o 2.3830  0.5549 0.3215000      1.110000  
1 1 1 18 9  44 o 2.7910  0.5559 0.3366000      1.112000  
1 1 1 18 9  45 f 9.1440  0.2209 -0.2943000E-01 0.4419000 
1 1 1 18 9  46 o 3.4960  0.5924 -2.077000      1.185000  
1 1 1 18 9  47 o 6.7400  0.3591 -0.4817000     0.7182000 
1 1 1 18 9  48 o 6.3940  0.4113 0.8198000      0.8227000 
1 1 1 18 9  49 o 8.0010  0.3731 1.110000       0.7461000 
1 1 1 18 9  50 o 6.7330  0.4356 -0.9864000     0.8713000 
1 1 1 18 9  51 f 1.9530  0.6043 0.4490000      1.209000  
1 1 1 18 9  52 o 2.0650  0.6062 -0.9517000     1.212000  
1 1 1 18 9  53 o 5.1830  0.4488 0.5006000      0.8975000 
1 1 1 18 9  54 o 3.9890  0.5599 2.621000       1.120000  
1 1 1 18 9  55 o 2.6080  0.6520 0.7373000      1.304000  
1 1 1 18 9  56 o 2.4670  0.6442 -0.6572000     1.288000  
1 1 1 18 9  57 o 4.0730  0.5874 0.1570000      1.175000  
1 1 1 18 9  58 o 1.9240  0.6164 0.1824000      1.233000  
1 1 1 18 9  59 o 3.7360  0.6648 -2.139000      1.330000  
1 1 1 18 9  60 o 7.6580  0.4111 0.7479000      0.8223000 
1 1 1 18 9  61 o 2.6170  0.5974 0.3059000      1.195000  
1 1 1 18 9  62 o 2.6180  0.6254 0.6079000      1.251000  
1 1 1 18 9  63 o 3.0260  0.6497 -2.068000      1.299000  
1 1 1 18 10 0  o 9.8590  0.3280 0.000000       0.000000  
1 1 1 18 10 1  o 17.610  0.1696 -0.2445000E-01 0.3393000 
1 1 1 18 10 2  o 20.620  0.1664 -0.2014000     0.3327000 
1 1 1 18 10 3  o 5.9990  0.3796 0.3233000      0.7592000 
1 1 1 18 10 4  o 33.530  0.1906 -0.6768000E-01 0.3812000 
1 1 1 18 10 5  o 18.410  0.2140 0.5874000      0.4280000 
1 1 1 18 10 6  o 17.820  0.1781 -0.1104000E-01 0.3563000 
1 1 1 18 10 7  o 3.3090  0.6145 -0.2213000     1.229000  
1 1 1 18 10 8  o 15.090  0.1861 -0.3372000     0.3721000 
1 1 1 18 10 9  o 16.500  0.1804 0.1897000      0.3608000 
1 1 1 18 10 10 o 19.440  0.1863 -0.2757000     0.3726000 
1 1 1 18 10 11 o 7.3720  0.3303 0.9711000E-01  0.6605000 
1 1 1 18 10 12 o 10.900  0.2640 -0.2388000     0.5280000 
1 1 1 18 10 13 o 4.3990  0.5092 0.3292000      1.018000  
1 1 1 18 10 14 o 17.480  0.1712 -0.2651000     0.3424000 
1 1 1 18 10 15 o 9.5270  0.2246 0.2503000      0.4492000 
1 1 1 18 10 16 o 14.040  0.1749 0.7444000      0.3497000 
1 1 1 18 10 17 o 6.4850  0.3133 -0.6722000     0.6266000 
1 1 1 18 10 18 o 3.4430  0.5627 1.361000       1.125000  
1 1 1 18 10 19 o 24.700  0.1574 0.1393000      0.3148000 
1 1 1 18 10 20 o 16.450  0.1667 0.5027000      0.3334000 
1 1 1 18 10 21 o 6.5140  0.4258 -1.324000      0.8515000 
1 1 1 18 10 22 o 2.5080  0.6766 1.312000       1.353000  
1 1 1 18 10 23 o 13.540  0.2427 -0.7230000E-01 0.4854000 
1 1 1 18 10 24 o 11.190  0.2776 -0.1431000     0.5552000 
1 1 1 18 10 25 o 24.050  0.1662 -0.6101000     0.3324000 
1 1 1 18 10 26 o 11.680  0.2499 -0.6860000     0.4998000 
1 1 1 18 10 27 o 18.580  0.2000 0.2684000      0.4000000 
1 1 1 18 10 28 o 11.250  0.2509 -0.1427000     0.5018000 
1 1 1 18 10 29 o 9.7570  0.3109 -0.5147000     0.6217000 
1 1 1 18 10 30 o 10.700  0.2866 -1.278000      0.5733000 
1 1 1 18 10 31 o 7.0790  0.3998 -1.057000      0.7996000 
1 1 1 18 10 32 o 10.850  0.2317 0.7359000E-01  0.4633000 
1 1 1 18 10 33 o 15.660  0.1664 -0.3955000E-01 0.3328000 
1 1 1 18 10 34 o 5.9350  0.3183 -0.4137000     0.6367000 
1 1 1 18 10 35 o 5.3940  0.4324 0.5085000      0.8647000 
1 1 1 18 10 36 o 9.6650  0.2532 -1.173000      0.5065000 
1 1 1 18 10 37 o 8.7680  0.2632 -0.1585000     0.5265000 
1 1 1 18 10 38 o 4.6350  0.4740 -1.144000      0.9481000 
1 1 1 18 10 39 o 10.910  0.2211 -0.2279000     0.4422000 
1 1 1 18 10 40 o 11.710  0.2641 0.6033000      0.5281000 
1 1 1 18 10 41 o 8.6020  0.2667 0.1335000      0.5334000 
1 1 1 18 10 42 o 9.5840  0.2349 0.7469000      0.4699000 
1 1 1 18 10 43 o 2.4120  0.6037 0.5059000      1.207000  
1 1 1 18 10 44 o 4.5360  0.4512 0.2182000      0.9024000 
1 1 1 18 10 45 o 8.4140  0.3550 -0.6168000     0.7100000 
1 1 1 18 10 46 o 2.4620  0.6349 1.263000       1.270000  
1 1 1 18 10 47 o 12.840  0.2416 -0.5236000     0.4832000 
1 1 1 18 10 48 o 5.9950  0.4993 -0.2790000     0.9985000 
1 1 1 18 10 49 o 9.4060  0.3189 -0.3118000     0.6377000 
1 1 1 18 10 50 o 5.0660  0.4970 -0.7610000     0.9940000 
1 1 1 18 10 51 o 2.4300  0.6675 -0.1344000     1.335000  
1 1 1 18 10 52 o 7.2730  0.3342 0.8593000      0.6685000 
1 1 1 18 10 53 o 6.1840  0.3856 0.9516000      0.7712000 
1 1 1 18 10 54 o 4.2960  0.6181 -1.386000      1.236000  
1 1 1 18 10 55 o 3.6140  0.6494 -1.237000      1.299000  
1 1 1 18 10 56 o 4.8580  0.5961 -2.122000      1.192000  
1 1 1 18 10 57 o 2.2010  0.6053 -0.3943000     1.211000  
1 1 1 18 10 58 o 1.8330  0.5736 -0.2663000     1.147000  
1 1 1 18 10 59 o 7.4090  0.3967 1.261000       0.7933000 
1 1 1 18 10 60 o 8.4770  0.3620 0.7812000      0.7239000 
1 1 1 18 10 61 o 4.5910  0.6090 -0.9562000     1.218000  
1 1 1 18 10 62 o 3.4720  0.6534 0.7903000      1.307000  
1 1 1 18 11 0  o 8.8250  0.3803 0.000000       0.000000  
1 1 1 18 11 1  f 14.010  0.2157 -0.1498000     0.4314000 
1 1 1 18 11 2  o 25.110  0.1849 -0.4062000     0.3699000 
1 1 1 18 11 3  o 21.150  0.1831 -0.2584000     0.3662000 
1 1 1 18 11 4  o 19.020  0.2103 -0.9628000E-01 0.4206000 
1 1 1 18 11 5  o 19.620  0.1743 -0.2619000     0.3486000 
1 1 1 18 11 6  o 16.490  0.1684 -0.6412000E-01 0.3369000 
1 1 1 18 11 7  o 2.0410  0.5978 0.1731000      1.196000  
1 1 1 18 11 8  o 18.160  0.1607 -0.1164000     0.3213000 
1 1 1 18 11 9  o 1.7870  0.5598 0.7204000E-01  1.120000  
1 1 1 18 11 10 o 30.300  0.1638 0.2198000      0.3277000 
1 1 1 18 11 11 o 3.2080  0.6056 1.263000       1.211000  
1 1 1 18 11 12 o 6.4870  0.3238 -0.3167000     0.6475000 
1 1 1 18 11 13 o 6.8640  0.3604 -0.2263000     0.7208000 
1 1 1 18 11 14 o 7.6160  0.2762 0.1637000      0.5524000 
1 1 1 18 11 15 o 10.280  0.2143 0.1172000      0.4287000 
1 1 1 18 11 16 o 11.980  0.1962 0.3318000      0.3923000 
1 1 1 18 11 17 o 20.780  0.1554 0.2532000      0.3108000 
1 1 1 18 11 18 o 13.340  0.1689 -0.2772000E-01 0.3378000 
1 1 1 18 11 19 o 8.3040  0.2558 0.2262000      0.5115000 
1 1 1 18 11 20 o 14.110  0.1790 -0.4103000     0.3579000 
1 1 1 18 11 21 o 3.7480  0.5477 -1.388000      1.095000  
1 1 1 18 11 22 o 5.8060  0.3526 0.4494000      0.7053000 
1 1 1 18 11 23 o 5.9690  0.3840 -0.8938000     0.7680000 
1 1 1 18 11 24 o 10.550  0.1865 -0.9892000E-01 0.3730000 
1 1 1 18 11 25 o 17.300  0.1844 0.2787000      0.3687000 
1 1 1 18 11 26 o 2.2280  0.6356 -0.4016000     1.271000  
1 1 1 18 11 27 o 15.820  0.2262 0.9712000      0.4524000 
1 1 1 18 11 28 o 15.970  0.2174 -0.5980000     0.4348000 
1 1 1 18 11 29 o 23.950  0.1950 -1.247000      0.3899000 
1 1 1 18 11 30 o 19.120  0.1882 -0.6172000E-01 0.3764000 
1 1 1 18 11 31 o 14.680  0.2084 -0.5101000     0.4168000 
1 1 1 18 11 32 o 15.940  0.1710 0.5053000      0.3419000 
1 1 1 18 11 33 o 6.5830  0.3501 0.6369000      0.7002000 
1 1 1 18 11 34 o 8.4590  0.2776 0.3349000      0.5551000 
1 1 1 18 11 35 o 10.080  0.2391 0.2526000      0.4781000 
1 1 1 18 11 36 o 6.5090  0.3353 -0.7510000E-01 0.6706000 
1 1 1 18 11 37 o 10.020  0.2333 0.3121000      0.4667000 
1 1 1 18 11 38 o 10.290  0.2878 0.9079000      0.5756000 
1 1 1 18 11 39 o 10.180  0.2315 -0.7333000     0.4631000 
1 1 1 18 11 40 o 7.9390  0.2773 1.017000       0.5547000 
1 1 1 18 11 41 o 3.7990  0.5156 -1.014000      1.031000  
1 1 1 18 11 42 o 2.5120  0.5877 0.7751000      1.175000  
1 1 1 18 11 43 o 17.510  0.1659 0.5673000      0.3319000 
1 1 1 18 11 44 o 3.2770  0.5831 -0.5091000     1.166000  
1 1 1 18 11 45 o 5.7110  0.3482 -0.2105000     0.6965000 
1 1 1 18 11 46 o 5.1370  0.4743 1.070000       0.9486000 
1 1 1 18 11 47 o 3.0870  0.6422 0.5724000E-01  1.284000  
1 1 1 18 11 48 o 8.5990  0.3393 0.6625000      0.6786000 
1 1 1 18 11 49 o 3.0660  0.6622 -1.304000      1.324000  
1 1 1 18 11 50 o 8.6610  0.3393 0.1417000      0.6786000 
1 1 1 18 11 51 o 2.7950  0.6378 -1.473000      1.276000  
1 1 1 18 11 52 o 3.0470  0.6988 -0.4950000     1.398000  
1 1 1 18 11 53 o 1.7920  0.5833 -0.6291000E-01 1.167000  
1 1 1 18 11 54 o 4.8360  0.4766 1.406000       0.9532000 
1 1 1 18 11 55 o 2.9040  0.6068 0.9904000E-01  1.214000  
1 1 1 18 11 56 o 7.8610  0.2863 -0.1477000     0.5727000 
1 1 1 18 11 57 o 3.0510  0.6765 1.153000       1.353000  
1 1 1 18 11 58 o 7.5110  0.3404 1.079000       0.6808000 
1 1 1 18 11 59 o 3.9390  0.6549 1.086000       1.310000  
1 1 1 18 11 60 o 3.9750  0.6677 0.9738000E-01  1.335000  
1 1 1 18 11 61 o 1.7590  0.5638 0.1181000      1.128000  
1 1 1 18 11 62 o 4.2710  0.5963 2.452000       1.193000  
1 1 1 18 12 0  o 11.230  0.4043 0.000000       0.000000  
1 1 1 18 12 1  o 30.550  0.1958 0.1498000      0.3916000 
1 1 1 18 12 2  o 17.570  0.2119 0.2531000      0.4238000 
1 1 1 18 12 3  o 9.5940  0.3135 -0.6402000     0.6271000 
1 1 1 18 12 4  f 25.510  0.1834 -0.1695000     0.3668000 
1 1 1 18 12 5  o 9.0970  0.2760 -0.6870000     0.5521000 
1 1 1 18 12 6  o 12.630  0.1897 -0.4156000     0.3793000 
1 1 1 18 12 7  o 8.0730  0.2658 0.2481000E-01  0.5317000 
1 1 1 18 12 8  o 8.8170  0.2488 0.6444000      0.4976000 
1 1 1 18 12 9  o 7.7020  0.2829 1.194000       0.5658000 
1 1 1 18 12 10 o 24.780  0.1568 0.3137000      0.3136000 
1 1 1 18 12 11 o 19.310  0.1591 0.3685000      0.3182000 
1 1 1 18 12 12 o 10.020  0.2216 -0.3464000E-01 0.4432000 
1 1 1 18 12 13 o 3.5690  0.5959 0.3581000      1.192000  
1 1 1 18 12 14 o 1.7750  0.5601 -0.1494000     1.120000  
1 1 1 18 12 15 o 16.290  0.2082 0.8405000      0.4164000 
1 1 1 18 12 16 o 10.810  0.2124 0.6727000E-01  0.4249000 
1 1 1 18 12 17 o 18.230  0.1616 0.4647000      0.3231000 
1 1 1 18 12 18 o 30.270  0.1654 -0.1559000     0.3309000 
1 1 1 18 12 19 o 3.1840  0.6485 -0.6481000     1.297000  
1 1 1 18 12 20 o 7.8860  0.3537 0.9165000E-01  0.7074000 
1 1 1 18 12 21 o 8.6510  0.2719 -0.4070000     0.5439000 
1 1 1 18 12 22 o 19.220  0.1572 0.1758000      0.3143000 
1 1 1 18 12 23 o 18.900  0.1411 -0.4213000     0.2822000 
1 1 1 18 12 24 o 9.9600  0.2589 -0.4698000     0.5179000 
1 1 1 18 12 25 o 9.2760  0.3369 0.2550000      0.6738000 
1 1 1 18 12 26 o 14.780  0.1980 0.2533000      0.3960000 
1 1 1 18 12 27 o 4.2070  0.6286 0.8437000      1.257000  
1 1 1 18 12 28 o 18.210  0.2075 -0.3865000     0.4150000 
1 1 1 18 12 29 o 9.2500  0.2953 0.8373000      0.5906000 
1 1 1 18 12 30 o 15.250  0.2128 0.9591000      0.4256000 
1 1 1 18 12 31 o 13.440  0.2010 -0.5661000     0.4019000 
1 1 1 18 12 32 o 7.5060  0.2992 0.9169000E-01  0.5983000 
1 1 1 18 12 33 o 13.910  0.1906 -0.6441000E-01 0.3813000 
1 1 1 18 12 34 o 7.3740  0.3077 1.133000       0.6154000 
1 1 1 18 12 35 o 9.8350  0.2292 0.4514000      0.4583000 
1 1 1 18 12 36 f 9.0850  0.2382 -0.4521000     0.4765000 
1 1 1 18 12 37 o 4.6160  0.6132 -1.156000      1.226000  
1 1 1 18 12 38 o 4.3250  0.4534 -1.132000      0.9067000 
1 1 1 18 12 39 o 7.5170  0.2746 0.5694000      0.5492000 
1 1 1 18 12 40 o 5.1460  0.3806 -0.2092000     0.7612000 
1 1 1 18 12 41 o 2.4330  0.6017 -0.5134000     1.203000  
1 1 1 18 12 42 o 8.1670  0.2505 0.1293000      0.5010000 
1 1 1 18 12 43 o 2.9970  0.5667 0.7477000      1.133000  
1 1 1 18 12 44 o 9.2120  0.2286 -0.2335000E-01 0.4573000 
1 1 1 18 12 45 o 4.6850  0.5226 1.432000       1.045000  
1 1 1 18 12 46 o 8.3130  0.2910 0.3452000E-02  0.5820000 
1 1 1 18 12 47 o 5.9640  0.3258 -1.644000      0.6517000 
1 1 1 18 12 48 o 3.2030  0.5628 1.599000       1.126000  
1 1 1 18 12 49 o 12.130  0.2151 0.4413000      0.4303000 
1 1 1 18 12 50 o 5.8210  0.3429 -0.4377000     0.6857000 
1 1 1 18 12 51 o 4.8350  0.4078 -0.1909000     0.8156000 
1 1 1 18 12 52 o 2.9980  0.5850 0.2125000E-01  1.170000  
1 1 1 18 12 53 o 1.8540  0.5634 -0.5269000     1.127000  
1 1 1 18 12 54 o 2.0470  0.5318 0.7186000      1.064000  
1 1 1 18 12 55 o 5.7040  0.3603 0.7746000      0.7206000 
1 1 1 18 12 56 o 6.0180  0.3268 -0.3647000     0.6536000 
1 1 1 18 12 57 o 2.2130  0.5966 -0.6026000     1.193000  
1 1 1 18 12 58 o 5.7760  0.3779 1.756000       0.7558000 
1 1 1 18 12 59 o 3.3720  0.5736 1.519000       1.147000  
1 1 1 18 12 60 o 4.8450  0.5083 1.006000       1.017000  
1 1 1 18 12 61 o 1.9020  0.5709 0.3092000      1.142000  
1 1 1 18 13 0  o 1.4220  0.9617 0.000000       0.000000  
1 1 1 18 13 1  o 11.140  0.2838 1.046000       0.5676000 
1 1 1 18 13 2  o 16.560  0.1999 -0.1376000E-01 0.3998000 
1 1 1 18 13 3  o 17.660  0.1907 -0.3526000     0.3814000 
1 1 1 18 13 4  o 18.610  0.1875 -0.4103000     0.3751000 
1 1 1 18 13 5  o 18.560  0.1722 0.1135000      0.3444000 
1 1 1 18 13 6  o 4.1430  0.5596 1.830000       1.119000  
1 1 1 18 13 7  o 6.2960  0.3419 0.2766000E-01  0.6837000 
1 1 1 18 13 8  o 10.510  0.2286 -1.463000      0.4573000 
1 1 1 18 13 9  o 10.890  0.2314 -0.3906000     0.4628000 
1 1 1 18 13 10 o 6.7150  0.3173 -0.3689000     0.6346000 
1 1 1 18 13 11 o 13.450  0.1939 0.6024000      0.3878000 
1 1 1 18 13 12 o 19.910  0.1602 -0.3020000     0.3204000 
1 1 1 18 13 13 o 14.050  0.1825 0.8093000      0.3650000 
1 1 1 18 13 14 o 20.050  0.1675 -0.7277000E-02 0.3351000 
1 1 1 18 13 15 o 16.490  0.1763 0.2734000      0.3527000 
1 1 1 18 13 16 o 24.830  0.2059 -0.2922000     0.4119000 
1 1 1 18 13 17 o 3.7490  0.5668 1.515000       1.134000  
1 1 1 18 13 18 o 5.2090  0.4160 0.4873000      0.8320000 
1 1 1 18 13 19 o 9.2180  0.2279 -0.1242000     0.4559000 
1 1 1 18 13 20 o 11.270  0.2764 0.7951000      0.5528000 
1 1 1 18 13 21 o 11.950  0.2698 -0.6361000E-01 0.5396000 
1 1 1 18 13 22 o 18.970  0.1660 0.2191000      0.3321000 
1 1 1 18 13 23 o 6.6980  0.3293 0.4186000      0.6586000 
1 1 1 18 13 24 o 7.3430  0.4220 0.2674000      0.8440000 
1 1 1 18 13 25 o 11.050  0.2457 0.3400000      0.4914000 
1 1 1 18 13 26 o 12.230  0.2545 -0.2220000     0.5091000 
1 1 1 18 13 27 o 2.1960  0.6491 -0.7380000     1.298000  
1 1 1 18 13 28 o 9.1320  0.2648 0.8028000E-01  0.5296000 
1 1 1 18 13 29 o 9.7610  0.2280 0.4595000      0.4560000 
1 1 1 18 13 30 o 17.450  0.1811 0.5039000      0.3622000 
1 1 1 18 13 31 f 10.950  0.2262 0.6778000      0.4524000 
1 1 1 18 13 32 o 7.1740  0.3057 0.1033000      0.6115000 
1 1 1 18 13 33 o 4.6830  0.4492 0.8647000E-01  0.8984000 
1 1 1 18 13 34 o 6.0820  0.3407 0.7824000E-01  0.6814000 
1 1 1 18 13 35 o 11.690  0.2680 0.8763000      0.5359000 
1 1 1 18 13 36 o 6.1350  0.3261 -0.1803000     0.6522000 
1 1 1 18 13 37 o 5.4080  0.3923 1.265000       0.7845000 
1 1 1 18 13 38 o 3.6350  0.5281 1.180000       1.056000  
1 1 1 18 13 39 o 3.1400  0.5442 0.8132000      1.088000  
1 1 1 18 13 40 o 5.1990  0.3555 -0.1383000     0.7110000 
1 1 1 18 13 41 o 2.0150  0.5639 -0.9605000     1.128000  
1 1 1 18 13 42 o 10.620  0.1959 -0.5855000E-01 0.3917000 
1 1 1 18 13 43 o 10.350  0.1982 -0.1158000     0.3964000 
1 1 1 18 13 44 o 6.9460  0.3155 0.4998000      0.6310000 
1 1 1 18 13 45 o 2.4860  0.6412 -1.612000      1.282000  
1 1 1 18 13 46 o 7.1470  0.3730 0.9534000      0.7460000 
1 1 1 18 13 47 o 5.0510  0.4889 1.408000       0.9779000 
1 1 1 18 13 48 o 4.0570  0.4684 -1.952000      0.9368000 
1 1 1 18 13 49 o 2.2580  0.5234 0.3184000      1.047000  
1 1 1 18 13 50 o 2.4460  0.5382 -0.4701000E-01 1.076000  
1 1 1 18 13 51 o 9.0450  0.2230 1.449000       0.4460000 
1 1 1 18 13 52 o 3.4760  0.5018 1.164000       1.004000  
1 1 1 18 13 53 o 5.2110  0.3584 0.7063000      0.7168000 
1 1 1 18 13 54 o 1.6440  0.4841 0.1599000      0.9683000 
1 1 1 18 13 55 o 6.9320  0.2909 1.057000       0.5818000 
1 1 1 18 13 56 o 4.3880  0.4302 -0.6920000     0.8604000 
1 1 1 18 13 57 o 3.3790  0.5454 0.7152000      1.091000  
1 1 1 18 13 58 o 3.4350  0.5515 -0.1008000     1.103000  
1 1 1 18 13 59 o 1.9020  0.5853 -0.5915000     1.171000  
1 1 1 18 13 60 o 2.4910  0.6361 -0.1144000     1.272000  
1 1 1 18 14 0  o 6.6160  0.9510 0.000000       0.000000  
1 1 1 18 14 1  o 10.670  0.3639 0.4269000      0.7277000 
1 1 1 18 14 2  o 6.6270  0.4034 0.6321000      0.8068000 
1 1 1 18 14 3  o 4.5120  0.5727 -0.1185000     1.145000  
1 1 1 18 14 4  o 7.3000  0.3294 0.7416000      0.6589000 
1 1 1 18 14 5  o 10.080  0.2473 -0.5336000     0.4946000 
1 1 1 18 14 6  o 20.380  0.1716 -0.7203000E-01 0.3432000 
1 1 1 18 14 7  o 12.720  0.2067 0.1270000      0.4134000 
1 1 1 18 14 8  o 6.1050  0.3778 -0.5148000     0.7555000 
1 1 1 18 14 9  o 7.9340  0.2906 0.9366000      0.5813000 
1 1 1 18 14 10 o 7.3000  0.3220 0.1724000      0.6439000 
1 1 1 18 14 11 o 6.9460  0.3217 -0.4371000E-01 0.6433000 
1 1 1 18 14 12 o 8.9010  0.2606 0.5580000      0.5211000 
1 1 1 18 14 13 o 11.670  0.2117 -0.3118000     0.4234000 
1 1 1 18 14 14 o 19.140  0.1669 -0.4499000     0.3338000 
1 1 1 18 14 15 o 4.7880  0.4640 -0.3041000E-01 0.9279000 
1 1 1 18 14 16 o 3.7080  0.6017 -0.7613000     1.203000  
1 1 1 18 14 17 o 7.0080  0.3346 -0.5987000     0.6692000 
1 1 1 18 14 18 f 11.980  0.2032 0.1523000      0.4064000 
1 1 1 18 14 19 o 3.3330  0.5513 -2.151000      1.103000  
1 1 1 18 14 20 f 8.0650  0.2573 -0.5431000     0.5146000 
1 1 1 18 14 21 o 14.500  0.2485 0.5758000E-01  0.4969000 
1 1 1 18 14 22 o 11.420  0.4105 -0.8998000     0.8211000 
1 1 1 18 14 23 o 11.800  0.2033 0.3663000      0.4065000 
1 1 1 18 14 24 f 10.290  0.3181 1.703000       0.6363000 
1 1 1 18 14 25 o 7.0290  0.4222 0.4366000      0.8443000 
1 1 1 18 14 26 o 15.110  0.2235 -0.8384000     0.4469000 
1 1 1 18 14 27 o 3.7520  0.4782 0.6038000      0.9563000 
1 1 1 18 14 28 o 14.570  0.1466 -0.2264000     0.2931000 
1 1 1 18 14 29 o 6.4030  0.3096 -0.5169000     0.6192000 
1 1 1 18 14 30 o 11.970  0.2152 0.1985000      0.4305000 
1 1 1 18 14 31 o 12.040  0.2092 0.3367000E-01  0.4184000 
1 1 1 18 14 32 o 2.4200  0.6222 -0.2359000     1.244000  
1 1 1 18 14 33 o 1.6500  0.5338 -0.5428000     1.068000  
1 1 1 18 14 34 o 9.0720  0.3334 -0.6388000     0.6668000 
1 1 1 18 14 35 o 8.4510  0.2491 0.6360000      0.4983000 
1 1 1 18 14 36 o 4.9850  0.3842 -0.2187000     0.7684000 
1 1 1 18 14 37 o 2.4170  0.5686 0.1963000      1.137000  
1 1 1 18 14 38 o 2.7610  0.5279 0.8747000      1.056000  
1 1 1 18 14 39 o 14.030  0.1739 0.8426000      0.3478000 
1 1 1 18 14 40 o 4.5630  0.5404 0.7242000      1.081000  
1 1 1 18 14 41 o 7.4960  0.3553 -0.9848000     0.7106000 
1 1 1 18 14 42 o 5.1380  0.5183 -1.396000      1.037000  
1 1 1 18 14 43 o 3.8800  0.7737 0.4427000      1.547000  
1 1 1 18 14 44 o 2.3260  0.7082 0.7067000      1.416000  
1 1 1 18 14 45 o 1.9660  0.6040 0.7298000      1.208000  
1 1 1 18 14 46 o 2.3250  0.6582 -0.6492000     1.316000  
1 1 1 18 14 47 o 4.3570  0.5893 -0.8194000     1.179000  
1 1 1 18 14 48 o 2.3680  0.6598 -0.1056000     1.320000  
1 1 1 18 14 49 o 6.4960  0.3883 1.243000       0.7766000 
1 1 1 18 14 50 o 7.7940  0.3258 0.5442000      0.6515000 
1 1 1 18 14 51 o 3.6680  0.6432 0.5489000E-01  1.286000  
1 1 1 18 14 52 f 5.0890  0.4892 1.233000       0.9785000 
1 1 1 18 14 53 o 3.0920  0.6699 0.9421000      1.340000  
1 1 1 18 14 54 o 3.5560  0.6451 -0.9092000     1.290000  
1 1 1 18 14 55 o 3.5150  0.6028 -2.211000      1.206000  
1 1 1 18 14 56 o 5.0360  0.5314 2.556000       1.063000  
1 1 1 18 14 57 o 3.1850  0.6603 1.517000       1.321000  
1 1 1 18 14 58 o 2.4660  0.6727 0.6687000      1.345000  
1 1 1 18 14 59 o 1.7610  0.5105 0.7518000E-01  1.021000  
1 1 1 18 15 0  o 1.2370  0.8706 0.000000       0.000000  
1 1 1 18 15 1  o 7.0830  0.5436 -0.3399000     1.087000  
1 1 1 18 15 2  o 5.0150  0.7324 2.077000       1.465000  
1 1 1 18 15 3  f 8.9050  0.2942 0.3232000      0.5885000 
1 1 1 18 15 4  o 4.7380  0.5430 0.2321000      1.086000  
1 1 1 18 15 5  o 11.910  0.2318 0.5063000      0.4636000 
1 1 1 18 15 6  o 6.2400  0.4754 -2.289000      0.9508000 
1 1 1 18 15 7  o 3.5160  0.6595 -0.8208000     1.319000  
1 1 1 18 15 8  o 5.8720  0.4274 1.162000       0.8548000 
1 1 1 18 15 9  o 16.290  0.1898 0.5377000E-01  0.3795000 
1 1 1 18 15 10 f 9.3370  0.2604 0.9973000E-01  0.5207000 
1 1 1 18 15 11 o 5.6320  0.4105 -1.100000      0.8210000 
1 1 1 18 15 12 o 6.3000  0.3633 -0.3125000     0.7267000 
1 1 1 18 15 13 o 14.860  0.1860 -0.1666000     0.3721000 
1 1 1 18 15 14 o 8.8070  0.2650 0.8114000      0.5301000 
1 1 1 18 15 15 o 15.800  0.1757 -0.2095000     0.3513000 
1 1 1 18 15 16 f 2.1740  0.5936 0.7093000      1.187000  
1 1 1 18 15 17 o 13.570  0.1786 -0.3261000E-01 0.3572000 
1 1 1 18 15 18 o 7.3190  0.3348 0.5059000      0.6696000 
1 1 1 18 15 19 o 14.780  0.1920 0.6165000E-01  0.3841000 
1 1 1 18 15 20 o 8.5820  0.2529 -0.1054000     0.5057000 
1 1 1 18 15 21 o 9.4830  0.2627 0.4844000      0.5254000 
1 1 1 18 15 22 o 4.1060  0.6654 -0.8524000     1.331000  
1 1 1 18 15 23 o 8.3960  0.2895 0.9256000      0.5791000 
1 1 1 18 15 24 o 14.400  0.2380 0.4606000      0.4760000 
1 1 1 18 15 25 o 11.630  0.2315 -0.3451000     0.4631000 
1 1 1 18 15 26 o 4.1800  0.4652 0.2277000      0.9303000 
1 1 1 18 15 27 o 12.500  0.1716 0.4131000E-01  0.3433000 
1 1 1 18 15 28 o 17.390  0.1503 -0.1066000     0.3006000 
1 1 1 18 15 29 o 12.150  0.1612 0.4323000      0.3224000 
1 1 1 18 15 30 o 4.7450  0.4350 0.4852000      0.8701000 
1 1 1 18 15 31 o 6.4800  0.3368 0.7597000      0.6736000 
1 1 1 18 15 32 o 3.2500  0.7276 -0.2690000     1.455000  
1 1 1 18 15 33 o 6.2570  0.3287 0.1400000      0.6575000 
1 1 1 18 15 34 o 8.6310  0.2478 0.3999000      0.4956000 
1 1 1 18 15 35 o 4.4800  0.4823 0.2563000      0.9646000 
1 1 1 18 15 36 o 3.3030  0.5512 1.176000       1.102000  
1 1 1 18 15 37 o 5.8690  0.5035 1.704000       1.007000  
1 1 1 18 15 38 o 5.8810  0.5060 -1.023000      1.012000  
1 1 1 18 15 39 o 2.0160  0.6290 -0.1739000     1.258000  
1 1 1 18 15 40 o 6.8730  0.3694 1.254000       0.7388000 
1 1 1 18 15 41 o 9.8750  0.2754 0.3293000      0.5509000 
1 1 1 18 15 42 o 3.9590  0.7284 0.6993000      1.457000  
1 1 1 18 15 43 o 2.9070  0.7550 0.3640000      1.510000  
1 1 1 18 15 44 o 5.1550  0.4814 1.185000       0.9627000 
1 1 1 18 15 45 o 1.9370  0.6090 -0.3520000     1.218000  
1 1 1 18 15 46 o 5.9960  0.4098 0.2755000      0.8195000 
1 1 1 18 15 47 o 1.9690  0.6095 0.4378000      1.219000  
1 1 1 18 15 48 o 2.5840  0.6490 1.363000       1.298000  
1 1 1 18 15 49 o 4.0400  0.6081 0.1002000      1.216000  
1 1 1 18 15 50 o 4.9670  0.5082 1.801000       1.016000  
1 1 1 18 15 51 o 2.9090  0.6462 1.501000       1.292000  
1 1 1 18 15 52 o 2.5200  0.6675 0.6020000      1.335000  
1 1 1 18 15 53 o 4.6300  0.5464 -0.6223000     1.093000  
1 1 1 18 15 54 o 3.1790  0.5797 2.600000       1.159000  
1 1 1 18 15 55 o 4.4670  0.5633 -0.5228000     1.127000  
1 1 1 18 15 56 o 2.5640  0.6708 -0.7413000     1.342000  
1 1 1 18 15 57 o 4.1040  0.6127 1.978000       1.225000  
1 1 1 18 15 58 o 2.7980  0.6963 -1.403000      1.393000  
1 1 1 18 16 0  o 14.170  0.3718 0.000000       0.000000  
1 1 1 18 16 1  o 11.140  0.2620 -0.5867000     0.5240000 
1 1 1 18 16 2  o 7.6640  0.3713 -0.4354000     0.7427000 
1 1 1 18 16 3  o 10.140  0.3366 1.722000       0.6731000 
1 1 1 18 16 4  o 16.360  0.1922 0.1694000      0.3843000 
1 1 1 18 16 5  o 15.660  0.1939 0.2299000      0.3878000 
1 1 1 18 16 6  o 13.710  0.2096 -0.2530000     0.4193000 
1 1 1 18 16 7  o 19.010  0.1766 -0.2076000     0.3533000 
1 1 1 18 16 8  o 6.1680  0.4060 0.3180000      0.8121000 
1 1 1 18 16 9  o 16.090  0.1883 0.2726000      0.3766000 
1 1 1 18 16 10 o 2.9790  0.6291 1.495000       1.258000  
1 1 1 18 16 11 o 12.620  0.2073 -0.4335000     0.4146000 
1 1 1 18 16 12 o 8.1820  0.3188 1.445000       0.6376000 
1 1 1 18 16 13 o 15.350  0.1826 0.6784000      0.3652000 
1 1 1 18 16 14 o 15.100  0.1825 0.2659000E-01  0.3650000 
1 1 1 18 16 15 o 11.350  0.2151 0.3688000      0.4302000 
1 1 1 18 16 16 o 13.480  0.1785 -0.5625000E-01 0.3570000 
1 1 1 18 16 17 o 17.210  0.1575 -0.7560000     0.3149000 
1 1 1 18 16 18 o 10.090  0.2133 0.7510000      0.4266000 
1 1 1 18 16 19 o 11.800  0.2150 -0.6788000E-01 0.4300000 
1 1 1 18 16 20 o 2.9160  0.6413 -0.1514000     1.283000  
1 1 1 18 16 21 f 9.4440  0.2383 -1.187000      0.4766000 
1 1 1 18 16 22 o 4.4510  0.5420 -1.889000      1.084000  
1 1 1 18 16 23 o 8.0130  0.4693 0.1719000      0.9386000 
1 1 1 18 16 24 o 7.3970  0.2978 -0.4552000     0.5957000 
1 1 1 18 16 25 o 4.1820  0.5698 0.3228000      1.140000  
1 1 1 18 16 26 o 9.2250  0.2772 0.7191000      0.5545000 
1 1 1 18 16 27 o 20.590  0.1455 0.8012000E-01  0.2910000 
1 1 1 18 16 28 o 1.3320  0.4485 -0.2985000E-01 0.8970000 
1 1 1 18 16 29 o 15.560  0.1553 0.7589000E-01  0.3107000 
1 1 1 18 16 30 o 4.4330  0.4099 0.9264000E-01  0.8199000 
1 1 1 18 16 31 o 4.2430  0.6043 0.9952000      1.209000  
1 1 1 18 16 32 o 7.6230  0.3611 0.3017000      0.7222000 
1 1 1 18 16 33 o 5.7070  0.4687 0.1872000      0.9374000 
1 1 1 18 16 34 f 2.9140  0.6519 -1.408000      1.304000  
1 1 1 18 16 35 o 4.2030  0.5988 -0.3530000     1.198000  
1 1 1 18 16 36 o 6.5430  0.3964 -0.7881000     0.7928000 
1 1 1 18 16 37 o 2.7740  0.6617 -1.081000      1.323000  
1 1 1 18 16 38 o 3.1440  0.6520 -1.368000      1.304000  
1 1 1 18 16 39 o 5.6950  0.4041 0.3440000      0.8083000 
1 1 1 18 16 40 o 3.4010  0.6222 1.438000       1.244000  
1 1 1 18 16 41 o 9.2590  0.3177 0.6415000      0.6355000 
1 1 1 18 16 42 o 2.3000  0.6986 0.5566000      1.397000  
1 1 1 18 16 43 o 1.6060  0.5407 0.1798000      1.081000  
1 1 1 18 16 44 o 2.2550  0.6511 0.6719000      1.302000  
1 1 1 18 16 45 o 2.2990  0.6480 0.6997000      1.296000  
1 1 1 18 16 46 o 7.8650  0.3222 0.9634000      0.6444000 
1 1 1 18 16 47 o 3.2980  0.5740 2.806000       1.148000  
1 1 1 18 16 48 o 7.9780  0.3322 -0.9852000     0.6643000 
1 1 1 18 16 49 o 7.2190  0.3566 1.095000       0.7132000 
1 1 1 18 16 50 o 7.0130  0.3644 -0.7697000     0.7287000 
1 1 1 18 16 51 o 2.4400  0.6334 1.435000       1.267000  
1 1 1 18 16 52 o 1.7140  0.5637 0.2826000      1.127000  
1 1 1 18 16 53 o 2.1270  0.6393 0.2596000      1.279000  
1 1 1 18 16 54 o 2.2160  0.6531 -0.2942000     1.306000  
1 1 1 18 16 55 o 5.7840  0.4993 0.5159000      0.9987000 
1 1 1 18 16 56 o 2.2370  0.6571 0.4730000      1.314000  
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1 1 1 19 2  41 o 5.0070  0.5322 -0.4296000     1.064000  
1 1 1 19 2  42 o 10.280  0.2565 0.5254000      0.5130000 
1 1 1 19 2  43 f 4.9660  0.4924 0.2144000      0.9848000 
1 1 1 19 2  44 o 14.790  0.2016 -0.1816000E-01 0.4033000 
1 1 1 19 2  45 o 2.9620  0.6230 1.757000       1.246000  
1 1 1 19 2  46 o 4.1180  0.5722 0.4896000      1.144000  
1 1 1 19 2  47 o 3.1790  0.7674 1.104000       1.535000  
1 1 1 19 2  48 o 3.7730  0.6063 -0.8180000E-01 1.213000  
1 1 1 19 2  49 o 3.6580  0.5999 0.5931000      1.200000  
1 1 1 19 2  50 o 3.7120  0.5881 1.351000       1.176000  
1 1 1 19 2  51 o 2.7340  0.6555 -2.062000      1.311000  
1 1 1 19 2  52 o 5.6560  0.4271 0.9696000      0.8542000 
1 1 1 19 2  53 o 5.1570  0.5242 -0.4401000     1.048000  
1 1 1 19 2  54 o 2.6620  0.5388 2.372000       1.078000  
1 1 1 19 2  55 o 9.0470  0.3192 ?              ?         
1 1 1 19 2  56 o 5.6930  0.5446 2.401000       1.089000  
1 1 1 19 2  57 o 6.9320  0.2880 0.2635000      0.5759000 
1 1 1 19 2  58 o 6.5710  0.2979 0.7123000      0.5959000 
1 1 1 19 2  59 o 3.6610  0.5253 1.664000       1.051000  
1 1 1 19 2  60 o 6.4020  0.3005 -0.2627000     0.6011000 
1 1 1 19 2  61 o 2.4490  0.6036 0.7125000E-01  1.207000  
1 1 1 19 2  62 o 4.3840  0.4400 0.2714000      0.8800000 
1 1 1 19 2  63 o 2.8600  0.6078 0.1924000      1.216000  
1 1 1 19 2  64 o 3.1600  0.5881 1.693000       1.176000  
1 1 1 19 3  0  o 9.6940  0.3227 0.000000       0.000000  
1 1 1 19 3  1  o 22.690  0.1655 0.9583000E-02  0.3310000 
1 1 1 19 3  2  o 4.4240  0.5356 0.4300000      1.071000  
1 1 1 19 3  3  o 13.540  0.1984 -0.6790000     0.3969000 
1 1 1 19 3  4  o 16.510  0.1820 -0.1597000     0.3640000 
1 1 1 19 3  5  o 8.3180  0.2646 -0.4893000     0.5292000 
1 1 1 19 3  6  o 14.410  0.1730 0.1099000      0.3460000 
1 1 1 19 3  7  o 11.450  0.2000 0.4333000E-01  0.3999000 
1 1 1 19 3  8  o 30.390  0.1718 0.1997000      0.3436000 
1 1 1 19 3  9  o 22.600  0.1792 -0.1814000     0.3585000 
1 1 1 19 3  10 o 18.150  0.1877 0.9704000      0.3754000 
1 1 1 19 3  11 o 23.250  0.1624 -0.3656000     0.3247000 
1 1 1 19 3  12 o 2.4570  0.5948 1.148000       1.190000  
1 1 1 19 3  13 o 12.120  0.2289 0.2750000      0.4579000 
1 1 1 19 3  14 f 19.950  0.1885 -0.4545000     0.3770000 
1 1 1 19 3  15 o 16.760  0.1990 0.1354000      0.3980000 
1 1 1 19 3  16 o 26.400  0.1911 -0.6362000E-01 0.3823000 
1 1 1 19 3  17 o 30.470  0.1983 -0.3556000E-01 0.3965000 
1 1 1 19 3  18 o 18.000  0.1984 0.2966000      0.3968000 
1 1 1 19 3  19 o 7.0600  0.3669 -0.8468000     0.7338000 
1 1 1 19 3  20 o 19.340  0.1954 -0.6832000     0.3907000 
1 1 1 19 3  21 o 17.930  0.2023 0.4978000      0.4047000 
1 1 1 19 3  22 o 7.7710  0.3595 1.152000       0.7189000 
1 1 1 19 3  23 o 13.840  0.2273 -0.1465000     0.4545000 
1 1 1 19 3  24 o 5.7110  0.4632 -1.552000      0.9264000 
1 1 1 19 3  25 o 15.770  0.2186 0.6126000      0.4373000 
1 1 1 19 3  26 o 10.040  0.3187 0.3320000      0.6375000 
1 1 1 19 3  27 o 8.4670  0.3711 0.3763000      0.7423000 
1 1 1 19 3  28 o 13.080  0.3297 0.6837000      0.6594000 
1 1 1 19 3  29 o 14.480  0.3331 0.5443000      0.6662000 
1 1 1 19 3  30 o 6.9450  0.5893 1.469000       1.179000  
1 1 1 19 3  31 o 8.6190  0.4794 0.3635000      0.9588000 
1 1 1 19 3  32 o 3.7670  0.7645 -0.6075000     1.529000  
1 1 1 19 3  33 o 9.1740  0.4181 -0.3285000     0.8362000 
1 1 1 19 3  34 o 10.480  0.3540 0.6171000      0.7080000 
1 1 1 19 3  35 o 18.760  0.2797 ?              ?         
1 1 1 19 3  36 o 10.760  0.3009 -0.4407000     0.6018000 
1 1 1 19 3  37 o 20.570  0.2137 -0.1208000E-01 0.4274000 
1 1 1 19 3  38 o 17.590  0.2254 0.3166000      0.4507000 
1 1 1 19 3  39 o 5.8310  0.4472 0.8504000      0.8944000 
1 1 1 19 3  40 o 12.000  0.2348 -0.3005000     0.4696000 
1 1 1 19 3  41 o 8.2480  0.3102 0.8857000E-01  0.6204000 
1 1 1 19 3  42 o 7.7280  0.3213 -0.3684000     0.6426000 
1 1 1 19 3  43 o 5.8440  0.4180 0.4927000      0.8360000 
1 1 1 19 3  44 o 2.8330  0.6681 1.093000       1.336000  
1 1 1 19 3  45 o 5.7980  0.4439 -1.012000      0.8879000 
1 1 1 19 3  46 o 3.0320  0.7639 -0.8723000E-02 1.528000  
1 1 1 19 3  47 f 4.8190  0.5002 1.239000       1.000000  
1 1 1 19 3  48 o 6.7990  0.3391 0.7751000E-01  0.6781000 
1 1 1 19 3  49 o 1.6550  0.5411 0.8120000E-01  1.082000  
1 1 1 19 3  50 o 2.8820  0.6460 0.6574000      1.292000  
1 1 1 19 3  51 o 6.2090  0.4391 0.4510000      0.8782000 
1 1 1 19 3  52 o 6.4330  0.4024 -0.6709000     0.8047000 
1 1 1 19 3  53 o 4.8620  0.4616 -0.1864000     0.9232000 
1 1 1 19 3  54 o 1.6690  0.5350 0.1085000      1.070000  
1 1 1 19 3  55 o 2.4170  0.6541 -0.3902000     1.308000  
1 1 1 19 3  56 o 7.1420  0.3417 -0.7389000     0.6833000 
1 1 1 19 3  57 o 2.5250  0.5641 1.346000       1.128000  
1 1 1 19 3  58 o 4.1090  0.4869 -1.444000      0.9739000 
1 1 1 19 3  59 o 2.8000  0.5788 1.287000       1.158000  
1 1 1 19 3  60 o 3.4470  0.5308 1.397000       1.062000  
1 1 1 19 3  61 o 1.7110  0.5325 -0.1308000     1.065000  
1 1 1 19 3  62 o 4.9000  0.4007 -0.8488000     0.8014000 
1 1 1 19 3  63 o 2.9050  0.5982 -0.2659000     1.196000  
1 1 1 19 3  64 o 3.3250  0.5806 0.1334000      1.161000  
1 1 1 19 4  0  o 15.460  0.2941 0.000000       0.000000  
1 1 1 19 4  1  o 15.510  0.2530 ?              ?         
1 1 1 19 4  2  o 31.240  0.1846 -0.1176000     0.3692000 
1 1 1 19 4  3  o 2.7260  0.6313 0.6549000      1.263000  
1 1 1 19 4  4  o 29.460  0.1702 0.4279000      0.3404000 
1 1 1 19 4  5  o 23.230  0.1982 -1.041000      0.3963000 
1 1 1 19 4  6  o 17.230  0.1565 0.2903000      0.3130000 
1 1 1 19 4  7  o 12.160  0.1824 0.6846000      0.3648000 
1 1 1 19 4  8  o 7.1940  0.2831 0.3186000      0.5662000 
1 1 1 19 4  9  f 3.7290  0.5491 0.1113000      1.098000  
1 1 1 19 4  10 o 27.850  0.1678 0.3510000      0.3356000 
1 1 1 19 4  11 o 4.7240  0.4475 -0.2207000     0.8950000 
1 1 1 19 4  12 o 16.670  0.1731 0.7382000      0.3463000 
1 1 1 19 4  13 o 12.300  0.2031 0.5670000      0.4062000 
1 1 1 19 4  14 o 8.2220  0.3164 -0.1782000     0.6329000 
1 1 1 19 4  15 o 16.820  0.1994 -0.8454000     0.3988000 
1 1 1 19 4  16 o 23.450  0.1888 0.1368000E-01  0.3775000 
1 1 1 19 4  17 o 9.1760  0.2965 0.5031000      0.5929000 
1 1 1 19 4  18 o 18.580  0.1951 0.1456000      0.3902000 
1 1 1 19 4  19 o 10.160  0.2738 0.7510000      0.5475000 
1 1 1 19 4  20 o 13.380  0.2288 -0.3949000     0.4577000 
1 1 1 19 4  21 o 16.360  0.2086 -0.4595000     0.4172000 
1 1 1 19 4  22 f 19.500  0.1982 -0.5693000E-01 0.3964000 
1 1 1 19 4  23 o 13.710  0.2283 -0.3831000     0.4567000 
1 1 1 19 4  24 o 4.5130  0.7201 ?              ?         
1 1 1 19 4  25 o 23.810  0.1969 -0.5559000     0.3939000 
1 1 1 19 4  26 o 10.230  0.2853 -0.6856000E-02 0.5707000 
1 1 1 19 4  27 o 4.0920  0.6027 -1.083000      1.205000  
1 1 1 19 4  28 o 12.760  0.2482 0.2715000      0.4964000 
1 1 1 19 4  29 o 8.7790  0.5019 -0.8202000     1.004000  
1 1 1 19 4  30 o 6.4360  0.5159 0.4022000      1.032000  
1 1 1 19 4  31 o 21.580  0.2607 -0.6460000     0.5214000 
1 1 1 19 4  32 o 16.880  0.2205 -0.3570000     0.4411000 
1 1 1 19 4  33 o 24.640  0.1971 0.6714000      0.3941000 
1 1 1 19 4  34 o 12.350  0.2489 -0.8914000E-01 0.4977000 
1 1 1 19 4  35 o 2.0150  0.6201 0.5468000      1.240000  
1 1 1 19 4  36 o 19.590  0.1860 0.5680000E-01  0.3719000 
1 1 1 19 4  37 o 4.4210  0.6152 -0.9076000     1.230000  
1 1 1 19 4  38 f 9.7770  0.2739 -0.5573000     0.5478000 
1 1 1 19 4  39 o 11.700  0.2405 -0.2442000E-01 0.4811000 
1 1 1 19 4  40 o 2.8990  0.6819 0.6714000      1.364000  
1 1 1 19 4  41 o 6.8530  0.4262 0.7405000      0.8524000 
1 1 1 19 4  42 o 2.9700  0.7364 -1.630000      1.473000  
1 1 1 19 4  43 o 4.4980  0.6449 -2.163000      1.290000  
1 1 1 19 4  44 o 6.4880  0.5202 0.6024000E-01  1.040000  
1 1 1 19 4  45 o 13.050  0.2796 -0.1114000     0.5591000 
1 1 1 19 4  46 o 2.4300  0.7151 -0.3141000     1.430000  
1 1 1 19 4  47 o 3.8070  0.6592 -1.005000      1.318000  
1 1 1 19 4  48 o 5.9080  0.3920 0.2930000      0.7840000 
1 1 1 19 4  49 o 8.8700  0.2618 0.8251000E-01  0.5237000 
1 1 1 19 4  50 o 3.1120  0.5988 1.050000       1.198000  
1 1 1 19 4  51 o 2.3120  0.5975 -1.566000      1.195000  
1 1 1 19 4  52 o 5.3020  0.4370 -0.2300000     0.8739000 
1 1 1 19 4  53 o 2.2630  0.5982 -0.7958000     1.196000  
1 1 1 19 4  54 o 2.4150  0.6571 -1.129000      1.314000  
1 1 1 19 4  55 o 13.800  0.1990 0.3668000      0.3980000 
1 1 1 19 4  56 o 2.5500  0.6379 0.5772000      1.276000  
1 1 1 19 4  57 o 5.0600  0.4314 -1.411000      0.8629000 
1 1 1 19 4  58 o 3.3170  0.6023 1.387000       1.205000  
1 1 1 19 4  59 o 10.910  0.2097 -0.1500000     0.4193000 
1 1 1 19 4  60 o 4.0040  0.4875 0.2049000      0.9750000 
1 1 1 19 4  61 o 1.9760  0.5721 0.1613000      1.144000  
1 1 1 19 4  62 o 7.0580  0.2753 0.2098000      0.5507000 
1 1 1 19 4  63 o 3.1670  0.5846 -0.1258000     1.169000  
1 1 1 19 4  64 o 2.1840  0.5924 -0.4694000     1.185000  
1 1 1 19 5  0  o 5.0090  0.7330 0.000000       0.000000  
1 1 1 19 5  1  o 11.060  0.2521 -0.2888000     0.5041000 
1 1 1 19 5  2  f 22.290  0.1603 -0.2641000     0.3207000 
1 1 1 19 5  3  o 8.1990  0.2937 -1.699000      0.5874000 
1 1 1 19 5  4  o 7.8790  0.2659 -0.1884000     0.5317000 
1 1 1 19 5  5  o 7.7890  0.2715 -0.7628000     0.5429000 
1 1 1 19 5  6  o 36.110  0.1876 0.2063000      0.3753000 
1 1 1 19 5  7  o 30.350  0.1621 0.3106000      0.3242000 
1 1 1 19 5  8  o 30.020  0.1614 0.8729000E-01  0.3227000 
1 1 1 19 5  9  o 17.220  0.1688 0.5257000      0.3376000 
1 1 1 19 5  10 o 4.4400  0.4818 -0.6327000     0.9636000 
1 1 1 19 5  11 o 21.170  0.1659 -0.6318000     0.3318000 
1 1 1 19 5  12 o 31.720  0.1779 -0.1655000     0.3557000 
1 1 1 19 5  13 o 3.1780  0.6305 -1.446000      1.261000  
1 1 1 19 5  14 o 7.3180  0.3049 0.4956000      0.6098000 
1 1 1 19 5  15 o 29.200  0.1724 0.6328000      0.3449000 
1 1 1 19 5  16 o 8.9940  0.2937 -0.4677000     0.5874000 
1 1 1 19 5  17 o 22.040  0.1903 -0.5597000     0.3806000 
1 1 1 19 5  18 o 20.370  0.1939 -0.3415000     0.3878000 
1 1 1 19 5  19 o 26.700  0.1939 0.6629000      0.3877000 
1 1 1 19 5  20 o 18.590  0.2002 0.5388000      0.4003000 
1 1 1 19 5  21 o 11.870  0.2478 -0.5063000     0.4956000 
1 1 1 19 5  22 o 6.8760  0.3934 0.4276000      0.7868000 
1 1 1 19 5  23 f 16.570  0.2099 0.1071000      0.4199000 
1 1 1 19 5  24 o 11.850  0.2560 -0.4132000     0.5119000 
1 1 1 19 5  25 o 17.840  0.2085 0.3820000      0.4170000 
1 1 1 19 5  26 o 18.700  0.1834 -0.1671000     0.3669000 
1 1 1 19 5  27 o 6.5290  0.4474 2.205000       0.8948000 
1 1 1 19 5  28 o 8.1180  0.4041 -0.3040000     0.8081000 
1 1 1 19 5  29 o 2.5280  0.7382 -0.6842000     1.476000  
1 1 1 19 5  30 o 4.9280  0.7536 0.8058000E-01  1.507000  
1 1 1 19 5  31 o 9.5820  0.3572 0.9241000E-02  0.7144000 
1 1 1 19 5  32 o 6.0580  0.5104 -2.354000      1.021000  
1 1 1 19 5  33 o 6.4430  0.4596 -1.466000      0.9191000 
1 1 1 19 5  34 o 13.390  0.2328 -0.1250000     0.4655000 
1 1 1 19 5  35 o 7.6990  0.3370 -0.1774000     0.6739000 
1 1 1 19 5  36 o 14.090  0.2143 0.4441000      0.4286000 
1 1 1 19 5  37 o 12.560  0.2291 0.8578000E-01  0.4583000 
1 1 1 19 5  38 o 14.160  0.2140 0.4958000      0.4280000 
1 1 1 19 5  39 o 15.260  0.2296 0.3500000E-01  0.4591000 
1 1 1 19 5  40 o 2.4650  0.6939 -1.248000      1.388000  
1 1 1 19 5  41 o 7.1570  0.5686 0.5723000      1.137000  
1 1 1 19 5  42 o 4.1220  0.6533 -1.000000      1.307000  
1 1 1 19 5  43 o 5.7250  0.4308 -0.5778000     0.8616000 
1 1 1 19 5  44 o 4.5230  0.6183 1.178000       1.237000  
1 1 1 19 5  45 o 12.530  0.2016 0.1202000      0.4032000 
1 1 1 19 5  46 o 12.590  0.2023 -0.1779000     0.4045000 
1 1 1 19 5  47 o 11.400  0.2126 -0.1446000     0.4252000 
1 1 1 19 5  48 o 9.5110  0.2422 0.8927000E-01  0.4843000 
1 1 1 19 5  49 o 2.5210  0.6473 0.7734000      1.295000  
1 1 1 19 5  50 o 5.3400  0.5408 -0.6240000     1.082000  
1 1 1 19 5  51 o 5.8760  0.4804 0.3211000E-01  0.9608000 
1 1 1 19 5  52 o 5.7710  0.4029 -0.6412000     0.8058000 
1 1 1 19 5  53 o 5.5950  0.3923 -0.5673000     0.7846000 
1 1 1 19 5  54 o 6.5300  0.3381 0.5436000      0.6762000 
1 1 1 19 5  55 o 1.8180  0.5655 0.2101000      1.131000  
1 1 1 19 5  56 o 7.4570  0.3245 0.5894000      0.6490000 
1 1 1 19 5  57 o 5.2710  0.5150 1.399000       1.030000  
1 1 1 19 5  58 o 2.0210  0.5818 0.2847000      1.164000  
1 1 1 19 5  59 o 2.8670  0.6096 -0.4302000     1.219000  
1 1 1 19 5  60 o 2.2610  0.5959 0.2403000      1.192000  
1 1 1 19 5  61 f 3.0100  0.5566 1.342000       1.113000  
1 1 1 19 5  62 o 4.8360  0.4065 -1.203000      0.8129000 
1 1 1 19 5  63 f 1.5680  0.5095 -0.1675000E-01 1.019000  
1 1 1 19 6  0  f 2.1300  1.1610 0.000000       0.000000  
1 1 1 19 6  1  o 14.120  0.2033 0.4588000      0.4066000 
1 1 1 19 6  2  o 22.040  0.1628 0.3677000      0.3256000 
1 1 1 19 6  3  o 12.650  0.1929 0.7948000E-01  0.3858000 
1 1 1 19 6  4  o 9.7720  0.2543 0.4816000      0.5087000 
1 1 1 19 6  5  o 18.660  0.2010 -0.1967000     0.4020000 
1 1 1 19 6  6  o 9.4650  0.2355 0.5516000      0.4710000 
1 1 1 19 6  7  o 16.030  0.1895 -0.8026000     0.3790000 
1 1 1 19 6  8  o 12.920  0.1957 0.8871000E-01  0.3915000 
1 1 1 19 6  9  o 24.230  0.1659 -0.6447000E-03 0.3318000 
1 1 1 19 6  10 o 6.5360  0.3352 -0.5466000     0.6704000 
1 1 1 19 6  11 o 10.510  0.2259 -1.041000      0.4518000 
1 1 1 19 6  12 o 7.0070  0.3118 -0.5313000E-01 0.6235000 
1 1 1 19 6  13 o 8.8530  0.3082 0.1476000      0.6165000 
1 1 1 19 6  14 f 14.050  0.1875 -0.2284000     0.3749000 
1 1 1 19 6  15 o 3.7050  0.5815 -0.6291000E-01 1.163000  
1 1 1 19 6  16 o 7.7320  0.2892 0.7543000E-01  0.5784000 
1 1 1 19 6  17 o 7.3880  0.3501 -0.8688000     0.7002000 
1 1 1 19 6  18 o 15.490  0.2117 0.2852000      0.4234000 
1 1 1 19 6  19 o 3.1910  0.5855 2.232000       1.171000  
1 1 1 19 6  20 o 18.240  0.2005 0.4351000      0.4009000 
1 1 1 19 6  21 o 12.580  0.2444 1.176000       0.4887000 
1 1 1 19 6  22 o 7.1550  0.3763 -0.8162000     0.7526000 
1 1 1 19 6  23 o 9.4620  0.3106 0.9061000      0.6212000 
1 1 1 19 6  24 o 7.6620  0.3651 0.3631000      0.7301000 
1 1 1 19 6  25 f 2.8350  0.7169 -0.9149000     1.434000  
1 1 1 19 6  26 o 16.690  0.2115 0.4461000      0.4230000 
1 1 1 19 6  27 o 11.220  0.2711 -0.5000000E-01 0.5422000 
1 1 1 19 6  28 o 14.040  0.2694 0.5530000      0.5387000 
1 1 1 19 6  29 o 17.490  0.2311 0.6876000      0.4622000 
1 1 1 19 6  30 o 15.190  0.3464 1.433000       0.6928000 
1 1 1 19 6  31 o 2.0710  0.6594 0.2065000      1.319000  
1 1 1 19 6  32 o 17.190  0.2159 0.2429000      0.4318000 
1 1 1 19 6  33 o 8.8230  0.3329 0.2924000      0.6657000 
1 1 1 19 6  34 f 13.800  0.2539 -0.5391000     0.5079000 
1 1 1 19 6  35 o 10.340  0.2981 0.4985000E-01  0.5961000 
1 1 1 19 6  36 o 3.6070  0.7129 -1.221000      1.426000  
1 1 1 19 6  37 o 3.8980  0.6106 -0.2969000     1.221000  
1 1 1 19 6  38 o 7.7310  0.3019 0.8823000      0.6039000 
1 1 1 19 6  39 o 4.8690  0.5482 -0.3043000     1.096000  
1 1 1 19 6  40 o 2.4850  0.6052 -1.577000      1.210000  
1 1 1 19 6  41 f 10.080  0.2651 -0.3399000     0.5302000 
1 1 1 19 6  42 o 2.2130  0.6441 -0.4953000     1.288000  
1 1 1 19 6  43 o 4.3310  0.4993 0.4559000E-01  0.9986000 
1 1 1 19 6  44 o 6.9360  0.3112 1.246000       0.6225000 
1 1 1 19 6  45 o 6.6910  0.3203 0.7995000      0.6406000 
1 1 1 19 6  46 o 3.1200  0.6098 -0.6243000     1.220000  
1 1 1 19 6  47 f 11.710  0.2045 0.7151000      0.4091000 
1 1 1 19 6  48 o 2.8410  0.6012 0.3814000      1.202000  
1 1 1 19 6  49 o 7.5390  0.3075 1.095000       0.6150000 
1 1 1 19 6  50 o 4.7170  0.4862 -1.010000      0.9724000 
1 1 1 19 6  51 o 3.1000  0.6100 0.6733000      1.220000  
1 1 1 19 6  52 o 6.2460  0.3562 0.9947000      0.7125000 
1 1 1 19 6  53 o 10.420  0.2295 0.3563000      0.4591000 
1 1 1 19 6  54 o 4.9910  0.5130 0.7731000      1.026000  
1 1 1 19 6  55 f 6.4080  0.3666 -0.6653000E-01 0.7331000 
1 1 1 19 6  56 o 4.6090  0.6019 -0.2015000     1.204000  
1 1 1 19 6  57 o 4.6020  0.6159 2.275000       1.232000  
1 1 1 19 6  58 o 3.5270  0.5931 0.3677000      1.186000  
1 1 1 19 6  59 o 2.9530  0.6202 1.066000       1.240000  
1 1 1 19 6  60 o 4.1480  0.5603 0.4165000E-02  1.121000  
1 1 1 19 6  61 o 2.8610  0.5217 -1.839000      1.043000  
1 1 1 19 6  62 o 2.7500  0.5920 0.5831000      1.184000  
1 1 1 19 6  63 o 6.8920  0.2855 -0.2742000     0.5710000 
1 1 1 19 7  0  o 15.580  0.3168 0.000000       0.000000  
1 1 1 19 7  1  o 23.560  0.1867 1.323000       0.3734000 
1 1 1 19 7  2  f 18.140  0.1709 -0.2878000     0.3419000 
1 1 1 19 7  3  o 17.820  0.1719 -0.8125000     0.3439000 
1 1 1 19 7  4  o 17.150  0.1910 0.3664000      0.3819000 
1 1 1 19 7  5  o 17.120  0.2220 -0.1268000E-02 0.4439000 
1 1 1 19 7  6  o 19.940  0.2003 0.1445000      0.4006000 
1 1 1 19 7  7  o 2.6520  0.6957 -0.5748000     1.391000  
1 1 1 19 7  8  o 2.3630  0.6458 0.6828000E-01  1.292000  
1 1 1 19 7  9  o 4.4070  0.5529 -1.195000      1.106000  
1 1 1 19 7  10 o 7.9210  0.3107 -0.6762000     0.6214000 
1 1 1 19 7  11 o 23.700  0.1672 -0.1404000E-01 0.3344000 
1 1 1 19 7  12 o 20.810  0.1667 0.3612000      0.3335000 
1 1 1 19 7  13 o 2.0320  0.6012 0.2418000      1.202000  
1 1 1 19 7  14 o 19.940  0.1671 -0.4156000     0.3343000 
1 1 1 19 7  15 o 15.370  0.1818 0.1314000      0.3636000 
1 1 1 19 7  16 o 17.860  0.1727 -0.7241000E-01 0.3454000 
1 1 1 19 7  17 o 16.940  0.1778 0.3604000      0.3557000 
1 1 1 19 7  18 o 13.620  0.1953 0.2881000      0.3905000 
1 1 1 19 7  19 o 8.6230  0.3181 -0.5442000     0.6363000 
1 1 1 19 7  20 o 23.360  0.1963 0.4206000      0.3926000 
1 1 1 19 7  21 o 9.3970  0.3009 -0.6628000     0.6017000 
1 1 1 19 7  22 o 12.910  0.2461 0.2280000      0.4921000 
1 1 1 19 7  23 o 7.0490  0.3873 -0.1556000     0.7746000 
1 1 1 19 7  24 o 15.580  0.2214 0.2826000      0.4428000 
1 1 1 19 7  25 o 2.7000  0.6931 -1.661000      1.386000  
1 1 1 19 7  26 o 5.7230  0.5966 2.366000       1.193000  
1 1 1 19 7  27 f 17.100  0.2976 -0.6617000     0.5952000 
1 1 1 19 7  28 o 4.1430  0.8140 -1.096000      1.628000  
1 1 1 19 7  29 o 6.9460  0.7839 3.647000       1.568000  
1 1 1 19 7  30 o 3.1460  0.7596 -0.2646000     1.519000  
1 1 1 19 7  31 f 6.3010  0.3854 0.6592000      0.7708000 
1 1 1 19 7  32 f 13.290  0.1961 0.7601000      0.3922000 
1 1 1 19 7  33 f 12.800  0.1996 -0.7199000E-01 0.3992000 
1 1 1 19 7  34 o 2.4790  0.6316 -1.042000      1.263000  
1 1 1 19 7  35 o 10.980  0.2128 -0.1254000     0.4256000 
1 1 1 19 7  36 o 11.370  0.2047 -0.5108000E-02 0.4095000 
1 1 1 19 7  37 o 7.4630  0.3039 0.5101000      0.6077000 
1 1 1 19 7  38 o 8.4410  0.2951 -0.3174000     0.5902000 
1 1 1 19 7  39 o 6.5600  0.3396 -0.1260000     0.6792000 
1 1 1 19 7  40 o 2.2500  0.9035 ?              ?         
1 1 1 19 7  41 o 9.8490  0.2913 0.5930000      0.5825000 
1 1 1 19 7  42 o 3.2910  0.6006 -0.5432000     1.201000  
1 1 1 19 7  43 o 8.9420  0.2413 -0.4791000E-01 0.4826000 
1 1 1 19 7  44 o 2.4290  0.6023 0.5679000      1.205000  
1 1 1 19 7  45 o 8.7610  0.2462 0.1706000      0.4923000 
1 1 1 19 7  46 o 5.2140  0.3841 -0.2066000     0.7682000 
1 1 1 19 7  47 o 3.2940  0.5654 -0.5884000E-01 1.131000  
1 1 1 19 7  48 o 2.3960  0.6317 -0.5748000     1.263000  
1 1 1 19 7  49 o 2.4070  0.5620 1.491000       1.124000  
1 1 1 19 7  50 f 6.3930  0.3250 0.8620000E-01  0.6500000 
1 1 1 19 7  51 o 3.4470  0.5828 -0.3943000     1.166000  
1 1 1 19 7  52 o 6.6190  0.3263 0.3867000      0.6526000 
1 1 1 19 7  53 o 6.2270  0.3251 -0.6402000     0.6501000 
1 1 1 19 7  54 o 5.4000  0.3789 0.9626000      0.7578000 
1 1 1 19 7  55 o 2.1260  0.6024 -0.3312000     1.205000  
1 1 1 19 7  56 o 2.7470  0.6032 0.9595000      1.206000  
1 1 1 19 7  57 o 2.3300  0.6681 -1.072000      1.336000  
1 1 1 19 7  58 o 4.0000  0.5815 0.7773000      1.163000  
1 1 1 19 7  59 o 2.8880  0.7172 0.5541000      1.434000  
1 1 1 19 7  60 o 2.3110  0.6620 -0.8414000     1.324000  
1 1 1 19 7  61 o 7.6680  0.3899 -0.5125000     0.7798000 
1 1 1 19 7  62 o 4.4220  0.5113 -2.115000      1.023000  
1 1 1 19 7  63 o 5.5050  0.3544 -0.3603000     0.7088000 
1 1 1 19 8  0  o 2.1880  1.2240 0.000000       0.000000  
1 1 1 19 8  1  o 17.130  0.2022 0.1519000      0.4045000 
1 1 1 19 8  2  o 6.0800  0.3767 -1.101000      0.7534000 
1 1 1 19 8  3  o 16.900  0.2297 0.6564000      0.4595000 
1 1 1 19 8  4  o 27.760  0.2267 0.3321000      0.4535000 
1 1 1 19 8  5  o 19.980  0.2177 0.3301000      0.4354000 
1 1 1 19 8  6  o 11.410  0.3073 ?              ?         
1 1 1 19 8  7  o 35.120  0.2075 0.8073000E-01  0.4149000 
1 1 1 19 8  8  o 5.4440  0.4963 0.4610000      0.9927000 
1 1 1 19 8  9  o 7.8430  0.3282 0.1623000      0.6565000 
1 1 1 19 8  10 o 19.470  0.1847 0.5413000      0.3694000 
1 1 1 19 8  11 o 8.8630  0.2611 0.1612000      0.5223000 
1 1 1 19 8  12 o 9.0090  0.2738 0.7156000      0.5476000 
1 1 1 19 8  13 o 10.840  0.2206 -0.5702000E-01 0.4411000 
1 1 1 19 8  14 o 27.840  0.1709 -0.4981000E-01 0.3418000 
1 1 1 19 8  15 o 14.330  0.1881 0.3105000      0.3762000 
1 1 1 19 8  16 o 3.8760  0.5738 1.024000       1.148000  
1 1 1 19 8  17 o 17.870  0.1743 -0.6729000     0.3486000 
1 1 1 19 8  18 o 10.170  0.2387 0.2228000      0.4775000 
1 1 1 19 8  19 o 11.310  0.2179 -0.6472000     0.4359000 
1 1 1 19 8  20 o 4.1050  0.5550 -1.596000      1.110000  
1 1 1 19 8  21 o 7.0220  0.4175 1.337000       0.8350000 
1 1 1 19 8  22 o 16.010  0.2174 -0.2510000     0.4348000 
1 1 1 19 8  23 o 6.9340  0.3728 0.9544000      0.7456000 
1 1 1 19 8  24 o 10.540  0.2389 0.3983000      0.4778000 
1 1 1 19 8  25 o 15.100  0.2114 -0.1043000     0.4228000 
1 1 1 19 8  26 o 21.980  0.2278 0.7942000      0.4555000 
1 1 1 19 8  27 o 8.6420  0.3637 -0.1739000     0.7275000 
1 1 1 19 8  28 o 10.250  0.3328 2.102000       0.6657000 
1 1 1 19 8  29 o 8.6920  0.3534 -0.6715000     0.7069000 
1 1 1 19 8  30 o 7.0500  0.4219 2.914000       0.8438000 
1 1 1 19 8  31 o 10.270  0.2642 -0.6390000     0.5285000 
1 1 1 19 8  32 o 5.1780  0.4927 1.097000       0.9854000 
1 1 1 19 8  33 o 6.4180  0.3546 0.5354000      0.7093000 
1 1 1 19 8  34 o 13.980  0.1942 -0.2964000     0.3884000 
1 1 1 19 8  35 o 2.3950  0.6328 0.3423000      1.266000  
1 1 1 19 8  36 o 9.1900  0.2800 0.7293000      0.5600000 
1 1 1 19 8  37 o 11.320  0.2129 0.2310000      0.4257000 
1 1 1 19 8  38 o 2.1410  0.6130 -0.2013000     1.226000  
1 1 1 19 8  39 o 5.0530  0.4055 -2.012000      0.8109000 
1 1 1 19 8  40 o 1.6380  0.5519 0.6373000E-01  1.104000  
1 1 1 19 8  41 o 11.830  0.1952 -0.4957000     0.3905000 
1 1 1 19 8  42 o 13.670  0.1811 0.6330000      0.3623000 
1 1 1 19 8  43 o 7.1430  0.2842 0.5581000      0.5685000 
1 1 1 19 8  44 o 5.5430  0.3602 0.5464000      0.7204000 
1 1 1 19 8  45 o 12.470  0.1917 0.8509000      0.3833000 
1 1 1 19 8  46 o 9.2690  0.2237 -0.6382000     0.4473000 
1 1 1 19 8  47 o 3.9240  0.5272 -1.223000      1.054000  
1 1 1 19 8  48 o 7.8200  0.2944 0.3916000      0.5888000 
1 1 1 19 8  49 o 6.6120  0.3143 0.5515000      0.6285000 
1 1 1 19 8  50 o 2.9670  0.5981 -0.2885000     1.196000  
1 1 1 19 8  51 f 6.5550  0.3880 0.9715000      0.7761000 
1 1 1 19 8  52 o 2.4150  0.6040 0.1347000      1.208000  
1 1 1 19 8  53 o 2.1200  0.5891 -0.4980000     1.178000  
1 1 1 19 8  54 o 3.3060  0.5620 -0.8010000     1.124000  
1 1 1 19 8  55 o 2.5360  0.5762 0.8466000      1.152000  
1 1 1 19 8  56 o 4.6380  0.5339 1.878000       1.068000  
1 1 1 19 8  57 o 1.8280  0.5654 0.1066000      1.131000  
1 1 1 19 8  58 o 3.8430  0.6421 0.5596000      1.284000  
1 1 1 19 8  59 o 1.5020  0.5024 0.1889000      1.005000  
1 1 1 19 8  60 o 2.6250  0.7474 1.796000       1.495000  
1 1 1 19 8  61 o 2.8690  0.8024 0.9786000E-01  1.605000  
1 1 1 19 8  62 o 2.0100  0.6434 0.2260000      1.287000  
1 1 1 19 9  0  o 5.9860  0.7288 0.000000       0.000000  
1 1 1 19 9  1  o 27.460  0.2590 -0.2693000     0.5181000 
1 1 1 19 9  2  o 8.8040  0.2939 -0.6442000     0.5878000 
1 1 1 19 9  3  o 2.6230  0.7087 0.5498000E-01  1.417000  
1 1 1 19 9  4  o 12.230  0.2623 -0.6813000     0.5246000 
1 1 1 19 9  5  o 22.090  0.1885 -0.7961000E-01 0.3770000 
1 1 1 19 9  6  o 3.8450  0.6330 -1.955000      1.266000  
1 1 1 19 9  7  o 33.290  0.2029 -0.4559000     0.4058000 
1 1 1 19 9  8  o 25.540  0.1881 0.2356000E-01  0.3762000 
1 1 1 19 9  9  o 23.880  0.1871 -0.1807000     0.3743000 
1 1 1 19 9  10 o 16.260  0.2933 ?              ?         
1 1 1 19 9  11 o 15.630  0.2277 -0.3075000     0.4554000 
1 1 1 19 9  12 f 11.760  0.2346 0.3259000      0.4693000 
1 1 1 19 9  13 o 17.480  0.1741 0.7290000      0.3483000 
1 1 1 19 9  14 o 7.5200  0.2839 -0.4909000     0.5679000 
1 1 1 19 9  15 o 2.2920  0.6172 0.3848000      1.234000  
1 1 1 19 9  16 o 3.6540  0.6316 -1.067000      1.263000  
1 1 1 19 9  17 o 11.360  0.2046 0.3381000      0.4093000 
1 1 1 19 9  18 o 6.1200  0.3545 1.137000       0.7090000 
1 1 1 19 9  19 o 8.3700  0.2657 -0.1919000     0.5315000 
1 1 1 19 9  20 o 7.3860  0.3081 1.607000       0.6161000 
1 1 1 19 9  21 o 17.770  0.1677 0.3904000      0.3355000 
1 1 1 19 9  22 o 7.2190  0.3552 -0.1464000     0.7103000 
1 1 1 19 9  23 o 16.690  0.1819 0.6807000      0.3637000 
1 1 1 19 9  24 o 12.020  0.2213 0.1249000      0.4426000 
1 1 1 19 9  25 o 24.300  0.2254 0.1046000      0.4509000 
1 1 1 19 9  26 o 6.4500  0.5050 -0.7589000     1.010000  
1 1 1 19 9  27 o 8.7700  0.3224 0.1429000      0.6448000 
1 1 1 19 9  28 o 6.2530  0.5689 0.9535000      1.138000  
1 1 1 19 9  29 o 5.5460  0.5631 0.1032000      1.126000  
1 1 1 19 9  30 o 12.650  0.3082 0.3899000      0.6165000 
1 1 1 19 9  31 o 9.5730  0.3843 -0.6089000     0.7686000 
1 1 1 19 9  32 o 20.380  0.2521 -0.2250000     0.5041000 
1 1 1 19 9  33 o 7.0120  0.3297 -0.4609000E-01 0.6594000 
1 1 1 19 9  34 o 15.620  0.1820 -0.3528000     0.3639000 
1 1 1 19 9  35 o 7.8990  0.3111 -0.1052000     0.6223000 
1 1 1 19 9  36 o 5.6490  0.3800 -0.3675000     0.7601000 
1 1 1 19 9  37 o 2.5320  0.6077 -0.9519000     1.215000  
1 1 1 19 9  38 o 2.1990  0.5863 -1.083000      1.173000  
1 1 1 19 9  39 o 12.560  0.2100 -0.3520000     0.4200000 
1 1 1 19 9  40 o 1.6160  0.5166 -0.9408000     1.033000  
1 1 1 19 9  41 o 7.5590  0.2598 0.2857000      0.5195000 
1 1 1 19 9  42 o 2.8830  0.5532 0.7675000      1.106000  
1 1 1 19 9  43 o 1.5370  0.4735 0.5601000      0.9470000 
1 1 1 19 9  44 o 17.630  0.1615 0.4610000      0.3230000 
1 1 1 19 9  45 o 6.6790  0.2854 -0.4174000     0.5707000 
1 1 1 19 9  46 o 5.5330  0.3374 -0.3268000     0.6748000 
1 1 1 19 9  47 o 13.350  0.2025 0.5009000      0.4050000 
1 1 1 19 9  48 o 2.1990  0.5936 -1.630000      1.187000  
1 1 1 19 9  49 o 4.2630  0.4572 0.3947000      0.9144000 
1 1 1 19 9  50 o 9.0330  0.2896 0.1641000      0.5792000 
1 1 1 19 9  51 o 4.9160  0.4817 0.1021000      0.9634000 
1 1 1 19 9  52 o 6.2570  0.3834 -0.6718000     0.7668000 
1 1 1 19 9  53 o 5.8150  0.4050 -0.3898000     0.8099000 
1 1 1 19 9  54 o 7.5070  0.3193 0.8120000E-01  0.6385000 
1 1 1 19 9  55 o 6.6370  0.3579 1.239000       0.7158000 
1 1 1 19 9  56 o 6.3480  0.4235 1.120000       0.8470000 
1 1 1 19 9  57 o 1.9960  0.6368 -0.1063000     1.274000  
1 1 1 19 9  58 o 2.9520  0.7315 1.289000       1.463000  
1 1 1 19 9  59 o 8.3590  0.3948 0.2018000      0.7895000 
1 1 1 19 9  60 o 2.5650  0.7687 0.8601000      1.537000  
1 1 1 19 9  61 o 2.5130  0.7654 1.046000       1.531000  
1 1 1 19 9  62 o 6.1900  0.4733 0.7032000      0.9465000 
1 1 1 19 10 0  o 10.430  0.5904 0.000000       0.000000  
1 1 1 19 10 1  o 14.490  0.2961 0.5865000      0.5921000 
1 1 1 19 10 2  o 9.0950  0.3374 -0.5445000     0.6748000 
1 1 1 19 10 3  o 21.220  0.2218 -0.7184000     0.4437000 
1 1 1 19 10 4  o 15.340  0.2051 0.6242000      0.4103000 
1 1 1 19 10 5  o 17.050  0.1806 -0.1848000     0.3611000 
1 1 1 19 10 6  o 25.720  0.1706 -0.1547000     0.3413000 
1 1 1 19 10 7  o 9.0800  0.2687 0.8120000E-01  0.5374000 
1 1 1 19 10 8  o 10.340  0.2395 -0.1369000     0.4790000 
1 1 1 19 10 9  o 6.1930  0.3723 0.3920000      0.7447000 
1 1 1 19 10 10 o 9.7750  0.2461 -0.2037000     0.4923000 
1 1 1 19 10 11 f 3.3160  0.6568 -1.177000      1.314000  
1 1 1 19 10 12 o 17.370  0.1788 0.1126000      0.3576000 
1 1 1 19 10 13 o 9.8280  0.2701 -0.5323000     0.5402000 
1 1 1 19 10 14 o 10.070  0.2623 -0.9037000E-01 0.5245000 
1 1 1 19 10 15 o 19.100  0.1625 0.6136000      0.3251000 
1 1 1 19 10 16 o 17.750  0.1666 0.3154000      0.3333000 
1 1 1 19 10 17 o 6.8470  0.3180 0.1085000      0.6361000 
1 1 1 19 10 18 o 12.660  0.1959 0.5775000E-01  0.3918000 
1 1 1 19 10 19 o 13.900  0.1877 0.2416000      0.3753000 
1 1 1 19 10 20 o 17.410  0.1700 0.5791000E-01  0.3399000 
1 1 1 19 10 21 o 18.870  0.1687 0.4194000      0.3374000 
1 1 1 19 10 22 o 7.5250  0.3044 0.4806000      0.6089000 
1 1 1 19 10 23 o 20.060  0.1756 0.1717000      0.3513000 
1 1 1 19 10 24 o 15.160  0.2565 -0.7074000     0.5130000 
1 1 1 19 10 25 o 12.930  0.3970 0.8209000      0.7941000 
1 1 1 19 10 26 o 2.0770  0.6650 -0.4609000     1.330000  
1 1 1 19 10 27 o 9.9250  0.3767 -0.2358000     0.7533000 
1 1 1 19 10 28 o 2.4480  0.7268 -0.5909000E-01 1.454000  
1 1 1 19 10 29 o 25.090  0.2521 0.9446000      0.5042000 
1 1 1 19 10 30 o 7.9510  0.3144 -1.465000      0.6287000 
1 1 1 19 10 31 o 7.2440  0.3413 -0.6162000     0.6826000 
1 1 1 19 10 32 o 2.1720  0.6399 -0.6555000E-01 1.280000  
1 1 1 19 10 33 o 10.190  0.2538 1.105000       0.5076000 
1 1 1 19 10 34 o 11.520  0.1992 0.3728000E-02  0.3985000 
1 1 1 19 10 35 o 12.890  0.1836 0.7023000E-01  0.3672000 
1 1 1 19 10 36 o 1.8320  0.5118 0.5690000      1.024000  
1 1 1 19 10 37 o 10.990  0.2205 -0.4750000     0.4409000 
1 1 1 19 10 38 o 7.4480  0.3074 -2.375000      0.6148000 
1 1 1 19 10 39 o 6.4470  0.4195 0.5852000      0.8391000 
1 1 1 19 10 40 o 2.0640  0.5922 -0.9047000     1.184000  
1 1 1 19 10 41 o 5.9680  0.3705 1.318000       0.7411000 
1 1 1 19 10 42 o 4.5030  0.4967 1.147000       0.9933000 
1 1 1 19 10 43 f 6.1670  0.3502 0.9853000E-01  0.7005000 
1 1 1 19 10 44 o 2.9990  0.6239 0.4678000      1.248000  
1 1 1 19 10 45 o 2.3500  0.5996 0.5075000      1.199000  
1 1 1 19 10 46 o 12.630  0.2750 0.5116000      0.5501000 
1 1 1 19 10 47 o 2.7570  0.7330 -0.1362000     1.466000  
1 1 1 19 10 48 o 3.7290  0.6257 -0.5554000     1.251000  
1 1 1 19 10 49 o 3.0520  0.6771 0.8764000      1.354000  
1 1 1 19 10 50 o 5.3560  0.4715 2.177000       0.9430000 
1 1 1 19 10 51 o 6.0160  0.3963 1.198000       0.7926000 
1 1 1 19 10 52 o 5.4290  0.4403 0.1170000      0.8805000 
1 1 1 19 10 53 o 2.2250  0.6198 1.903000       1.240000  
1 1 1 19 10 54 o 5.1400  0.5103 0.6410000      1.021000  
1 1 1 19 10 55 o 1.8940  0.6066 0.1886000E-01  1.213000  
1 1 1 19 10 56 o 5.0130  0.5944 1.084000       1.189000  
1 1 1 19 10 57 o 2.9740  0.7180 0.1873000      1.436000  
1 1 1 19 10 58 o 2.2000  0.6863 -0.7425000     1.373000  
1 1 1 19 10 59 o 2.8460  0.7138 -0.7068000     1.428000  
1 1 1 19 10 60 o 4.6480  0.5439 0.6773000      1.088000  
1 1 1 19 10 61 o 3.1460  0.6811 -0.7235000     1.362000  
1 1 1 19 11 0  o 4.4230  1.0870 0.000000       0.000000  
1 1 1 19 11 1  o 23.850  0.2400 0.3146000      0.4800000 
1 1 1 19 11 2  o 7.3480  0.4109 -0.5618000     0.8219000 
1 1 1 19 11 3  o 13.140  0.2110 -0.1873000     0.4221000 
1 1 1 19 11 4  o 10.970  0.2175 -0.3722000E-01 0.4349000 
1 1 1 19 11 5  o 10.270  0.2267 0.2433000E-01  0.4533000 
1 1 1 19 11 6  o 2.8320  0.6421 0.3229000      1.284000  
1 1 1 19 11 7  o 6.9920  0.3434 0.2259000      0.6869000 
1 1 1 19 11 8  o 13.560  0.1872 -0.5844000     0.3744000 
1 1 1 19 11 9  f 15.020  0.1767 0.1748000      0.3535000 
1 1 1 19 11 10 o 5.1900  0.4342 0.8914000      0.8684000 
1 1 1 19 11 11 o 10.930  0.2187 0.6228000      0.4373000 
1 1 1 19 11 12 o 17.970  0.1651 0.8418000E-01  0.3302000 
1 1 1 19 11 13 o 13.610  0.2195 -0.7103000     0.4389000 
1 1 1 19 11 14 o 20.640  0.1784 0.3039000      0.3569000 
1 1 1 19 11 15 o 5.9370  0.4404 1.386000       0.8808000 
1 1 1 19 11 16 o 11.070  0.2181 0.1952000      0.4361000 
1 1 1 19 11 17 o 7.1130  0.3194 0.7982000      0.6388000 
1 1 1 19 11 18 o 9.3680  0.2295 0.9890000      0.4591000 
1 1 1 19 11 19 o 8.5210  0.2495 0.4377000E-01  0.4990000 
1 1 1 19 11 20 o 8.0510  0.2714 1.110000       0.5428000 
1 1 1 19 11 21 o 24.060  0.1650 -0.1297000     0.3301000 
1 1 1 19 11 22 o 3.8580  0.5902 -0.4413000     1.180000  
1 1 1 19 11 23 o 15.450  0.2049 -0.2856000E-01 0.4098000 
1 1 1 19 11 24 o 1.8790  0.6000 0.2928000      1.200000  
1 1 1 19 11 25 o 12.430  0.2451 0.3237000      0.4903000 
1 1 1 19 11 26 o 1.9100  0.6014 0.9308000E-01  1.203000  
1 1 1 19 11 27 o 26.080  0.1945 -0.2493000     0.3890000 
1 1 1 19 11 28 o 10.390  0.2209 -0.6519000     0.4418000 
1 1 1 19 11 29 o 13.290  0.1879 0.2043000      0.3758000 
1 1 1 19 11 30 o 15.440  0.1734 0.1392000      0.3468000 
1 1 1 19 11 31 o 10.880  0.2110 0.3870000      0.4221000 
1 1 1 19 11 32 o 7.0770  0.3571 -0.5474000     0.7141000 
1 1 1 19 11 33 f 2.1930  0.6119 0.6927000      1.224000  
1 1 1 19 11 34 o 4.3930  0.4805 1.303000       0.9610000 
1 1 1 19 11 35 o 3.1230  0.6257 0.3571000      1.251000  
1 1 1 19 11 36 o 10.790  0.2233 0.2106000      0.4465000 
1 1 1 19 11 37 o 6.1620  0.4387 1.033000       0.8774000 
1 1 1 19 11 38 o 13.200  0.1961 -0.9156000     0.3922000 
1 1 1 19 11 39 o 6.2360  0.3454 0.6768000E-02  0.6908000 
1 1 1 19 11 40 o 4.0180  0.5297 -0.6829000E-01 1.059000  
1 1 1 19 11 41 o 6.2730  0.3406 0.3739000      0.6813000 
1 1 1 19 11 42 o 2.3520  0.5759 -1.733000      1.152000  
1 1 1 19 11 43 o 2.4870  0.6137 -1.077000      1.227000  
1 1 1 19 11 44 o 9.4390  0.2390 -0.7359000E-01 0.4781000 
1 1 1 19 11 45 o 4.6350  0.4923 -0.4455000     0.9847000 
1 1 1 19 11 46 o 5.4360  0.4245 -0.7808000     0.8490000 
1 1 1 19 11 47 o 8.1710  0.2623 -0.1832000     0.5246000 
1 1 1 19 11 48 o 2.3830  0.6330 -0.3289000     1.266000  
1 1 1 19 11 49 o 2.5320  0.6238 0.2539000      1.248000  
1 1 1 19 11 50 o 2.2140  0.6472 -0.4618000     1.294000  
1 1 1 19 11 51 o 4.5220  0.6007 -1.115000      1.201000  
1 1 1 19 11 52 o 3.3980  0.6983 0.6035000E-02  1.397000  
1 1 1 19 11 53 o 6.3870  0.4094 -0.7278000     0.8187000 
1 1 1 19 11 54 o 1.9600  0.6158 -0.6995000E-01 1.232000  
1 1 1 19 11 55 o 2.0710  0.6217 -0.9516000     1.243000  
1 1 1 19 11 56 o 6.6150  0.4564 0.1189000      0.9129000 
1 1 1 19 11 57 o 2.9070  0.7158 -0.1638000     1.432000  
1 1 1 19 11 58 o 3.4590  0.6977 -0.8629000     1.395000  
1 1 1 19 11 59 o 3.5290  0.7391 0.8438000      1.478000  
1 1 1 19 11 60 o 2.3480  0.6353 -0.5076000     1.271000  
1 1 1 19 12 0  o 8.8160  0.4653 0.000000       0.000000  
1 1 1 19 12 1  o 5.5700  0.5860 ?              ?         
1 1 1 19 12 2  o 6.6280  0.5551 0.6421000E-02  1.110000  
1 1 1 19 12 3  o 18.670  0.1905 0.3707000      0.3810000 
1 1 1 19 12 4  o 8.4230  0.2709 -0.3910000     0.5418000 
1 1 1 19 12 5  o 18.950  0.1640 -0.1720000     0.3280000 
1 1 1 19 12 6  o 10.030  0.2360 -0.1735000     0.4720000 
1 1 1 19 12 7  o 9.3800  0.2503 0.2256000      0.5006000 
1 1 1 19 12 8  o 15.970  0.1761 0.3265000      0.3522000 
1 1 1 19 12 9  o 12.990  0.1958 -0.1046000E-01 0.3917000 
1 1 1 19 12 10 o 6.9350  0.3198 -1.047000      0.6396000 
1 1 1 19 12 11 o 7.7270  0.2951 0.8302000      0.5902000 
1 1 1 19 12 12 o 7.5870  0.2985 0.7175000E-01  0.5970000 
1 1 1 19 12 13 o 15.210  0.2401 1.171000       0.4802000 
1 1 1 19 12 14 o 10.510  0.2367 -0.6779000     0.4733000 
1 1 1 19 12 15 o 4.4490  0.5076 -0.6020000     1.015000  
1 1 1 19 12 16 o 13.740  0.2351 -0.6161000     0.4702000 
1 1 1 19 12 17 o 4.7150  0.4790 -1.050000      0.9581000 
1 1 1 19 12 18 f 15.890  0.1792 -0.5874000E-01 0.3584000 
1 1 1 19 12 19 o 15.410  0.1827 0.4358000      0.3655000 
1 1 1 19 12 20 o 11.460  0.2166 0.1663000E-01  0.4332000 
1 1 1 19 12 21 o 16.100  0.1801 0.6516000      0.3602000 
1 1 1 19 12 22 o 11.720  0.2437 -0.1455000     0.4875000 
1 1 1 19 12 23 o 12.740  0.2280 -0.7198000     0.4559000 
1 1 1 19 12 24 o 4.0020  0.5384 -0.5900000     1.077000  
1 1 1 19 12 25 o 7.5420  0.3032 1.013000       0.6065000 
1 1 1 19 12 26 o 13.150  0.2348 0.5392000      0.4697000 
1 1 1 19 12 27 o 11.500  0.2109 0.2735000      0.4218000 
1 1 1 19 12 28 f 6.0870  0.3446 -0.6652000E-01 0.6893000 
1 1 1 19 12 29 o 6.1770  0.3410 0.2257000      0.6820000 
1 1 1 19 12 30 o 10.840  0.2355 0.2708000      0.4709000 
1 1 1 19 12 31 o 9.5980  0.2482 -0.4591000     0.4963000 
1 1 1 19 12 32 f 7.4240  0.3026 -0.8495000     0.6053000 
1 1 1 19 12 33 o 7.5520  0.2916 -0.1759000     0.5832000 
1 1 1 19 12 34 o 4.8270  0.4757 1.490000       0.9515000 
1 1 1 19 12 35 o 8.3680  0.2650 -0.5828000E-01 0.5301000 
1 1 1 19 12 36 o 11.610  0.2637 0.6828000      0.5273000 
1 1 1 19 12 37 o 6.8730  0.3038 0.1955000      0.6077000 
1 1 1 19 12 38 o 5.4380  0.3750 -0.2038000E-01 0.7501000 
1 1 1 19 12 39 o 13.930  0.1861 0.3390000      0.3721000 
1 1 1 19 12 40 o 2.9230  0.6100 -0.5327000     1.220000  
1 1 1 19 12 41 o 5.2470  0.3969 0.7463000      0.7937000 
1 1 1 19 12 42 o 8.0030  0.2619 -0.3585000     0.5237000 
1 1 1 19 12 43 o 10.480  0.2158 0.1297000E-01  0.4316000 
1 1 1 19 12 44 o 2.4130  0.6474 -0.1909000     1.295000  
1 1 1 19 12 45 o 10.0000 0.2798 -1.225000      0.5596000 
1 1 1 19 12 46 o 2.8450  0.6329 -0.2065000     1.266000  
1 1 1 19 12 47 f 4.2410  0.5304 0.7436000      1.061000  
1 1 1 19 12 48 o 1.4960  0.4925 0.4430000E-01  0.9850000 
1 1 1 19 12 49 o 2.3420  0.5061 1.756000       1.012000  
1 1 1 19 12 50 o 7.1820  0.3197 0.4562000      0.6394000 
1 1 1 19 12 51 o 2.5520  0.6366 -0.2844000     1.273000  
1 1 1 19 12 52 o 8.3710  0.2775 -0.5517000     0.5549000 
1 1 1 19 12 53 o 3.7240  0.5494 1.108000       1.099000  
1 1 1 19 12 54 o 3.9460  0.5029 0.1497000      1.006000  
1 1 1 19 12 55 o 5.5020  0.3606 -0.2874000     0.7213000 
1 1 1 19 12 56 o 2.6580  0.6197 0.1493000      1.239000  
1 1 1 19 12 57 o 8.1000  0.2966 0.9083000      0.5931000 
1 1 1 19 12 58 o 2.9110  0.5752 1.251000       1.150000  
1 1 1 19 12 59 o 3.2760  0.6008 -0.4429000     1.202000  
1 1 1 19 12 60 o 4.0290  0.5456 0.1383000      1.091000  
1 1 1 19 13 0  o 2.5620  1.2870 0.000000       0.000000  
1 1 1 19 13 1  o 5.5190  0.7226 0.9209000      1.445000  
1 1 1 19 13 2  o 17.010  0.2696 -0.1637000     0.5392000 
1 1 1 19 13 3  o 4.4010  0.6558 0.2971000      1.312000  
1 1 1 19 13 4  o 7.6260  0.3242 -0.8830000     0.6484000 
1 1 1 19 13 5  o 27.750  0.1738 -0.3883000     0.3475000 
1 1 1 19 13 6  o 4.9580  0.5118 -1.582000      1.024000  
1 1 1 19 13 7  o 8.4430  0.2800 0.3888000      0.5601000 
1 1 1 19 13 8  o 13.340  0.1959 -1.167000      0.3919000 
1 1 1 19 13 9  o 3.5510  0.5998 1.404000       1.200000  
1 1 1 19 13 10 o 13.320  0.1977 -0.8473000     0.3953000 
1 1 1 19 13 11 o 10.890  0.2275 -0.2631000E-01 0.4549000 
1 1 1 19 13 12 f 10.770  0.2303 0.9285000E-01  0.4607000 
1 1 1 19 13 13 o 21.390  0.1655 0.1502000      0.3311000 
1 1 1 19 13 14 o 6.5810  0.3569 0.7556000      0.7139000 
1 1 1 19 13 15 o 2.5900  0.6640 -0.4772000     1.328000  
1 1 1 19 13 16 o 13.350  0.2080 0.4809000E-01  0.4160000 
1 1 1 19 13 17 o 18.170  0.2144 -0.5417000     0.4287000 
1 1 1 19 13 18 o 16.450  0.2241 -0.4017000E-01 0.4482000 
1 1 1 19 13 19 o 18.470  0.1711 0.5104000      0.3422000 
1 1 1 19 13 20 o 13.070  0.1833 0.7348000E-01  0.3667000 
1 1 1 19 13 21 o 2.3310  0.6579 0.6833000      1.316000  
1 1 1 19 13 22 f 9.8030  0.2746 -0.8704000     0.5492000 
1 1 1 19 13 23 o 9.8250  0.2284 -0.1937000     0.4567000 
1 1 1 19 13 24 o 7.0330  0.3183 -1.417000      0.6365000 
1 1 1 19 13 25 o 10.730  0.2234 0.4552000      0.4469000 
1 1 1 19 13 26 f 6.1880  0.3067 0.6902000      0.6134000 
1 1 1 19 13 27 o 6.7810  0.3255 0.4584000      0.6509000 
1 1 1 19 13 28 o 10.630  0.2170 -0.2324000     0.4339000 
1 1 1 19 13 29 o 9.1980  0.2695 0.3371000      0.5390000 
1 1 1 19 13 30 o 14.280  0.1775 0.7548000      0.3550000 
1 1 1 19 13 31 o 10.560  0.2567 0.8377000      0.5134000 
1 1 1 19 13 32 o 12.410  0.2004 -0.6157000E-01 0.4008000 
1 1 1 19 13 33 o 3.5790  0.5907 -2.484000      1.181000  
1 1 1 19 13 34 o 8.7890  0.3302 1.138000       0.6605000 
1 1 1 19 13 35 o 13.910  0.1846 0.1565000      0.3692000 
1 1 1 19 13 36 o 4.9650  0.4063 -0.1225000E-01 0.8127000 
1 1 1 19 13 37 o 5.6120  0.3616 0.3503000      0.7232000 
1 1 1 19 13 38 o 7.3450  0.2774 0.3989000      0.5548000 
1 1 1 19 13 39 o 9.7090  0.2234 0.6989000      0.4469000 
1 1 1 19 13 40 o 5.3530  0.3423 -1.591000      0.6847000 
1 1 1 19 13 41 o 3.0960  0.5650 -0.8133000     1.130000  
1 1 1 19 13 42 o 10.790  0.2058 0.4414000      0.4117000 
1 1 1 19 13 43 o 4.9190  0.4883 1.462000       0.9766000 
1 1 1 19 13 44 o 2.4670  0.5254 1.412000       1.051000  
1 1 1 19 13 45 o 4.8010  0.5224 1.098000       1.045000  
1 1 1 19 13 46 o 7.6640  0.3128 -0.3204000     0.6256000 
1 1 1 19 13 47 o 3.7570  0.5491 0.7723000      1.098000  
1 1 1 19 13 48 o 3.2640  0.5559 0.5017000      1.112000  
1 1 1 19 13 49 o 7.9630  0.2574 0.1391000      0.5149000 
1 1 1 19 13 50 o 2.0910  0.5574 -1.135000      1.115000  
1 1 1 19 13 51 o 2.0450  0.5459 -1.563000      1.092000  
1 1 1 19 13 52 o 2.5030  0.5672 -0.8015000     1.134000  
1 1 1 19 13 53 o 4.3500  0.4405 0.3779000      0.8811000 
1 1 1 19 13 54 o 4.8080  0.3998 0.1755000      0.7997000 
1 1 1 19 13 55 o 5.8480  0.3743 0.2388000      0.7487000 
1 1 1 19 13 56 o 2.6070  0.6087 -1.303000      1.217000  
1 1 1 19 13 57 o 4.2530  0.5322 3.036000       1.064000  
1 1 1 19 13 58 o 4.1750  0.4983 0.1695000      0.9966000 
1 1 1 19 13 59 o 4.2400  0.5304 1.777000       1.061000  
1 1 1 19 14 0  o 12.460  0.3939 0.000000       0.000000  
1 1 1 19 14 1  o 14.400  0.2505 0.5213000      0.5010000 
1 1 1 19 14 2  o 10.040  0.4593 ?              ?         
1 1 1 19 14 3  o 15.200  0.2400 0.2040000      0.4800000 
1 1 1 19 14 4  o 16.850  0.1948 0.1684000      0.3896000 
1 1 1 19 14 5  o 4.7250  0.5585 0.1198000E-01  1.117000  
1 1 1 19 14 6  o 16.970  0.1906 -0.2741000     0.3812000 
1 1 1 19 14 7  f 4.9530  0.4948 0.1095000      0.9896000 
1 1 1 19 14 8  o 7.8180  0.3111 -0.3364000     0.6222000 
1 1 1 19 14 9  f 8.7400  0.2823 0.5094000      0.5646000 
1 1 1 19 14 10 o 4.1280  0.5817 0.3765000      1.163000  
1 1 1 19 14 11 o 20.780  0.1693 -0.4053000     0.3387000 
1 1 1 19 14 12 o 3.0580  0.6032 1.730000       1.206000  
1 1 1 19 14 13 o 15.780  0.1848 -0.5498000     0.3697000 
1 1 1 19 14 14 o 8.7050  0.2785 0.2927000      0.5569000 
1 1 1 19 14 15 o 11.100  0.2273 0.3362000      0.4546000 
1 1 1 19 14 16 o 8.8480  0.2686 -0.1623000     0.5371000 
1 1 1 19 14 17 o 7.3400  0.3298 0.8191000      0.6596000 
1 1 1 19 14 18 o 11.860  0.2129 -0.3814000     0.4259000 
1 1 1 19 14 19 o 7.0090  0.3404 -0.5001000     0.6807000 
1 1 1 19 14 20 o 14.700  0.1909 0.1413000      0.3818000 
1 1 1 19 14 21 o 2.4620  0.6260 0.7335000      1.252000  
1 1 1 19 14 22 o 7.0240  0.3412 -0.2381000     0.6824000 
1 1 1 19 14 23 o 8.2520  0.4482 0.1014000      0.8964000 
1 1 1 19 14 24 o 6.9330  0.3366 0.2807000      0.6733000 
1 1 1 19 14 25 o 15.600  0.1642 0.1974000      0.3283000 
1 1 1 19 14 26 o 4.4880  0.4797 2.814000       0.9594000 
1 1 1 19 14 27 o 3.3540  0.5754 1.512000       1.151000  
1 1 1 19 14 28 o 11.580  0.2038 0.2741000      0.4076000 
1 1 1 19 14 29 o 8.0170  0.2673 0.2409000      0.5345000 
1 1 1 19 14 30 o 11.000  0.2065 0.4245000      0.4130000 
1 1 1 19 14 31 o 5.0870  0.4589 1.221000       0.9177000 
1 1 1 19 14 32 o 2.7760  0.6319 -1.120000      1.264000  
1 1 1 19 14 33 o 6.1540  0.4690 -0.1438000     0.9379000 
1 1 1 19 14 34 o 14.370  0.1834 0.2881000      0.3669000 
1 1 1 19 14 35 o 5.4010  0.3824 0.3154000      0.7647000 
1 1 1 19 14 36 o 14.560  0.1781 0.3248000      0.3562000 
1 1 1 19 14 37 o 4.9170  0.3886 -0.5403000     0.7772000 
1 1 1 19 14 38 o 3.4730  0.5365 0.2794000      1.073000  
1 1 1 19 14 39 o 4.0940  0.5012 0.1274000E-01  1.002000  
1 1 1 19 14 40 o 5.8030  0.3529 -0.6773000E-01 0.7058000 
1 1 1 19 14 41 o 9.2000  0.2507 0.9162000      0.5014000 
1 1 1 19 14 42 o 2.2310  0.6306 -1.562000      1.261000  
1 1 1 19 14 43 o 7.4380  0.4516 -2.005000      0.9032000 
1 1 1 19 14 44 f 4.1910  0.6046 1.753000       1.209000  
1 1 1 19 14 45 o 5.8350  0.4384 0.3839000      0.8768000 
1 1 1 19 14 46 o 7.9400  0.3219 -0.1166000     0.6439000 
1 1 1 19 14 47 o 9.9870  0.2715 -0.3520000     0.5429000 
1 1 1 19 14 48 o 8.8750  0.2991 1.134000       0.5982000 
1 1 1 19 14 49 o 2.0650  0.6273 0.4723000      1.255000  
1 1 1 19 14 50 o 3.6830  0.6308 -0.9775000     1.262000  
1 1 1 19 14 51 o 3.7900  0.6321 -0.3090000     1.264000  
1 1 1 19 14 52 o 1.8650  0.5823 -0.6545000     1.165000  
1 1 1 19 14 53 o 1.9460  0.6099 -0.7568000E-01 1.220000  
1 1 1 19 14 54 o 2.9990  0.6924 -0.4285000     1.385000  
1 1 1 19 14 55 o 2.3470  0.6832 -0.5747000     1.366000  
1 1 1 19 14 56 o 6.9220  0.4176 0.4201000      0.8351000 
1 1 1 19 14 57 f 6.8690  0.4071 -0.4172000     0.8142000 
1 1 1 19 14 58 o 2.6060  0.6950 -0.3841000E-01 1.390000  
1 1 1 19 15 0  o 2.4090  1.3100 0.000000       0.000000  
1 1 1 19 15 1  o 5.4100  0.5733 0.7820000      1.147000  
1 1 1 19 15 2  o 12.690  0.2723 -0.5951000     0.5446000 
1 1 1 19 15 3  o 23.350  0.2287 -0.2368000     0.4573000 
1 1 1 19 15 4  o 7.2660  0.4615 0.2989000      0.9229000 
1 1 1 19 15 5  o 8.2170  0.3348 -0.3441000     0.6696000 
1 1 1 19 15 6  o 14.090  0.2173 -0.3123000     0.4346000 
1 1 1 19 15 7  o 5.4720  0.4863 0.1375000      0.9727000 
1 1 1 19 15 8  o 10.700  0.2620 -0.2863000     0.5239000 
1 1 1 19 15 9  o 17.120  0.1850 0.8947000E-01  0.3700000 
1 1 1 19 15 10 o 10.180  0.2566 -0.2594000     0.5132000 
1 1 1 19 15 11 o 13.220  0.2092 -0.4040000     0.4183000 
1 1 1 19 15 12 o 7.5720  0.3170 -0.2350000     0.6340000 
1 1 1 19 15 13 o 3.7720  0.6111 -0.7030000E-01 1.222000  
1 1 1 19 15 14 o 11.170  0.2259 0.6913000      0.4519000 
1 1 1 19 15 15 o 8.6860  0.2716 -0.4050000     0.5432000 
1 1 1 19 15 16 o 14.750  0.1877 -0.9088000E-01 0.3755000 
1 1 1 19 15 17 o 4.1990  0.5792 1.702000       1.158000  
1 1 1 19 15 18 o 11.430  0.2075 0.3180000      0.4150000 
1 1 1 19 15 19 o 3.8120  0.5985 0.6379000      1.197000  
1 1 1 19 15 20 o 4.1150  0.5509 -2.162000      1.102000  
1 1 1 19 15 21 f 12.600  0.2008 0.6887000      0.4017000 
1 1 1 19 15 22 o 9.6390  0.2375 -0.2691000     0.4750000 
1 1 1 19 15 23 o 3.9110  0.7988 -0.2077000E-03 1.598000  
1 1 1 19 15 24 o 9.2460  0.3358 -0.1110000     0.6716000 
1 1 1 19 15 25 o 6.7690  0.2815 -0.2849000     0.5630000 
1 1 1 19 15 26 o 5.9150  0.4333 1.105000       0.8667000 
1 1 1 19 15 27 o 2.2570  0.6309 -0.4237000     1.262000  
1 1 1 19 15 28 o 10.990  0.2317 0.2386000      0.4633000 
1 1 1 19 15 29 o 6.6370  0.2505 -0.4821000     0.5010000 
1 1 1 19 15 30 o 10.830  0.2031 0.1939000      0.4061000 
1 1 1 19 15 31 o 8.0730  0.2777 1.695000       0.5555000 
1 1 1 19 15 32 o 6.2600  0.3354 -0.4974000     0.6709000 
1 1 1 19 15 33 o 7.0570  0.3198 -0.4889000E-01 0.6395000 
1 1 1 19 15 34 o 6.0650  0.3718 0.5994000      0.7436000 
1 1 1 19 15 35 o 3.1720  0.5972 -1.657000      1.194000  
1 1 1 19 15 36 o 2.1120  0.6082 -0.7491000     1.216000  
1 1 1 19 15 37 o 2.1490  0.5850 0.1088000      1.170000  
1 1 1 19 15 38 o 3.4460  0.5092 1.968000       1.018000  
1 1 1 19 15 39 o 3.8680  0.4515 -0.8414000     0.9030000 
1 1 1 19 15 40 o 6.0250  0.3668 0.5374000      0.7336000 
1 1 1 19 15 41 o 7.9670  0.5584 -0.6998000     1.117000  
1 1 1 19 15 42 o 2.7710  0.6910 -0.7592000     1.382000  
1 1 1 19 15 43 o 2.4360  0.6742 -0.3619000     1.348000  
1 1 1 19 15 44 o 3.8100  0.6288 1.927000       1.258000  
1 1 1 19 15 45 o 3.2320  0.6776 0.4538000E-01  1.355000  
1 1 1 19 15 46 o 2.5890  0.6387 -1.248000      1.277000  
1 1 1 19 15 47 o 3.9410  0.6131 -0.9875000     1.226000  
1 1 1 19 15 48 o 6.4150  0.3889 0.1456000      0.7777000 
1 1 1 19 15 49 o 2.2600  0.6479 -0.2198000     1.296000  
1 1 1 19 15 50 o 2.7360  0.6813 0.2395000      1.363000  
1 1 1 19 15 51 o 4.2660  0.5773 -0.3866000     1.155000  
1 1 1 19 15 52 o 2.6340  0.6704 0.8002000      1.341000  
1 1 1 19 15 53 o 2.4230  0.6664 0.7181000      1.333000  
1 1 1 19 15 54 o 2.6130  0.6637 1.313000       1.327000  
1 1 1 19 15 55 f 5.3170  0.5399 -0.7691000     1.080000  
1 1 1 19 15 56 o 2.8060  0.7292 -0.3169000E-02 1.458000  
1 1 1 19 15 57 f 3.7500  0.6997 -1.209000      1.399000  
1 1 1 19 16 0  o 22.410  0.2622 0.000000       0.000000  
1 1 1 19 16 1  o 9.8140  0.3304 0.1118000      0.6608000 
1 1 1 19 16 2  o 9.0590  0.3565 0.3975000      0.7131000 
1 1 1 19 16 3  o 5.2150  0.6171 1.727000       1.234000  
1 1 1 19 16 4  o 9.3210  0.5299 ?              ?         
1 1 1 19 16 5  o 4.7370  0.6948 -0.4738000     1.390000  
1 1 1 19 16 6  o 6.0850  0.4414 -0.3936000     0.8829000 
1 1 1 19 16 7  o 7.2000  0.3707 0.1619000      0.7413000 
1 1 1 19 16 8  o 16.580  0.1963 -0.3530000     0.3926000 
1 1 1 19 16 9  o 11.200  0.2463 -0.6992000     0.4927000 
1 1 1 19 16 10 o 8.2080  0.3108 -0.3157000     0.6215000 
1 1 1 19 16 11 o 9.8480  0.2653 -0.6319000E-01 0.5305000 
1 1 1 19 16 12 o 15.250  0.1945 0.1225000      0.3891000 
1 1 1 19 16 13 o 2.6300  0.6683 0.3810000      1.337000  
1 1 1 19 16 14 o 3.7620  0.5846 2.076000       1.169000  
1 1 1 19 16 15 o 6.1100  0.3744 -0.2948000     0.7488000 
1 1 1 19 16 16 o 6.1130  0.3729 0.5521000      0.7459000 
1 1 1 19 16 17 o 3.5210  0.6110 -1.185000      1.222000  
1 1 1 19 16 18 o 17.870  0.1993 0.8082000      0.3987000 
1 1 1 19 16 19 o 13.180  0.2073 -0.1088000     0.4147000 
1 1 1 19 16 20 f 2.2550  0.6032 0.7346000      1.206000  
1 1 1 19 16 21 o 11.610  0.2343 0.7730000E-01  0.4685000 
1 1 1 19 16 22 o 3.2440  0.5810 1.172000       1.162000  
1 1 1 19 16 23 o 13.740  0.1729 -0.1473000     0.3457000 
1 1 1 19 16 24 o 8.0300  0.3812 -0.8188000     0.7624000 
1 1 1 19 16 25 o 2.5420  0.6939 -0.4409000     1.388000  
1 1 1 19 16 26 o 11.890  0.1936 0.1868000      0.3871000 
1 1 1 19 16 27 o 3.3830  0.6646 -0.2021000     1.329000  
1 1 1 19 16 28 o 7.8190  0.3471 0.6185000      0.6942000 
1 1 1 19 16 29 o 6.7530  0.3136 1.387000       0.6272000 
1 1 1 19 16 30 o 7.6570  0.2871 1.200000       0.5741000 
1 1 1 19 16 31 o 6.1680  0.3563 -0.1457000     0.7126000 
1 1 1 19 16 32 o 8.1060  0.2446 0.1692000      0.4892000 
1 1 1 19 16 33 o 8.5440  0.2510 0.2486000      0.5021000 
1 1 1 19 16 34 o 4.0680  0.4756 -1.617000      0.9512000 
1 1 1 19 16 35 o 7.3380  0.2682 -0.3501000     0.5364000 
1 1 1 19 16 36 o 2.1250  0.6508 0.1244000E-02  1.302000  
1 1 1 19 16 37 o 1.9170  0.6123 -0.1036000     1.225000  
1 1 1 19 16 38 o 3.5140  0.6929 -0.8911000     1.386000  
1 1 1 19 16 39 o 9.8000  0.4411 0.6095000      0.8822000 
1 1 1 19 16 40 o 2.9860  0.8290 0.3381000      1.658000  
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1 1 1 19 16 44 o 2.1180  0.6278 0.7131000      1.256000  
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1 1 1 19 16 52 o 3.5900  0.6209 -2.016000      1.242000  
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1 1 1 19 17 4  o 2.3830  0.6930 -0.5172000E-01 1.386000  
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1 1 1 19 17 7  o 5.9420  0.4442 1.586000       0.8885000 
1 1 1 19 17 8  o 11.040  0.2364 -0.5505000     0.4729000 
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1 1 1 19 17 11 o 8.7120  0.2773 0.4963000      0.5547000 
1 1 1 19 17 12 o 6.4630  0.3634 0.4311000      0.7269000 
1 1 1 19 17 13 o 8.7590  0.2652 0.1663000      0.5304000 
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1 1 1 19 17 15 o 10.230  0.2256 -0.5130000E-01 0.4511000 
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1 1 1 19 17 18 o 6.2040  0.3814 0.8975000      0.7627000 
1 1 1 19 17 19 o 5.3510  0.4077 -0.7629000     0.8154000 
1 1 1 19 17 20 o 6.5630  0.3507 0.7952000      0.7014000 
1 1 1 19 17 21 o 6.7660  0.3068 0.4358000      0.6136000 
1 1 1 19 17 22 o 5.3290  0.4017 1.133000       0.8035000 
1 1 1 19 17 23 o 9.1510  0.2405 0.5213000      0.4809000 
1 1 1 19 17 24 o 11.490  0.2197 0.2064000      0.4394000 
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1 1 1 19 18 0  o 2.9950  1.1420 0.000000       0.000000  
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1 1 1 19 18 6  f 3.8880  0.6590 1.471000       1.318000  
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1 1 1 19 18 16 o 4.1130  0.5613 0.4632000      1.123000  
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1 1 1 19 18 24 f 9.1440  0.2349 -0.1090000     0.4697000 
1 1 1 19 18 25 f 1.7890  0.5558 0.6839000E-01  1.112000  
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1 1 1 19 18 29 o 5.3080  0.3687 1.172000       0.7374000 
1 1 1 19 18 30 o 16.590  0.1602 0.1317000      0.3204000 
1 1 1 19 18 31 o 11.300  0.1883 0.4689000E-01  0.3766000 
1 1 1 19 18 32 o 2.0580  0.5543 -0.9295000     1.109000  
1 1 1 19 18 33 o 2.6070  0.5514 1.128000       1.103000  
1 1 1 19 18 34 o 7.3260  0.3353 1.381000       0.6707000 
1 1 1 19 18 35 o 12.060  0.2631 0.2030000E-01  0.5261000 
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1 1 1 19 18 49 o 2.6540  0.6335 -1.362000      1.267000  
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1 1 1 19 18 53 f 3.6270  0.6890 1.770000       1.378000  
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1 1 1 20 0  60 o 5.8690  0.6040 0.000000       0.000000  
1 1 1 20 0  61 o 1.3620  0.9068 0.000000       0.000000  
1 1 1 20 0  62 o 2.6340  1.2080 0.000000       0.000000  
1 1 1 20 0  63 o 2.6000  1.1970 0.000000       0.000000  
1 1 1 20 1  0  o 11.160  0.3075 0.000000       0.000000  
1 1 1 20 1  1  o 14.580  0.2125 -0.7175000     0.4251000 
1 1 1 20 1  2  o 20.040  0.1616 0.2719000E-01  0.3231000 
1 1 1 20 1  3  f 23.670  0.1690 -0.2579000     0.3381000 
1 1 1 20 1  4  o 20.090  0.1913 -0.3235000     0.3827000 
1 1 1 20 1  5  o 14.320  0.1914 0.4706000      0.3829000 
1 1 1 20 1  6  o 2.7910  0.6105 -2.510000      1.221000  
1 1 1 20 1  7  o 14.290  0.2202 -0.3101000     0.4405000 
1 1 1 20 1  8  o 4.9120  0.5273 -1.362000      1.055000  
1 1 1 20 1  9  o 8.4360  0.3279 0.5573000      0.6558000 
1 1 1 20 1  10 o 20.710  0.1761 0.1796000      0.3521000 
1 1 1 20 1  11 o 14.970  0.1936 0.1189000      0.3871000 
1 1 1 20 1  12 o 9.0350  0.2712 -0.4426000     0.5425000 
1 1 1 20 1  13 o 15.020  0.1942 0.3137000      0.3884000 
1 1 1 20 1  14 o 26.870  0.1749 0.6648000E-01  0.3498000 
1 1 1 20 1  15 o 6.2300  0.3802 -0.4094000     0.7604000 
1 1 1 20 1  16 o 22.950  0.1741 0.4538000      0.3482000 
1 1 1 20 1  17 o 9.9150  0.2540 1.061000       0.5081000 
1 1 1 20 1  18 o 10.590  0.2698 -0.8529000     0.5395000 
1 1 1 20 1  19 o 11.810  0.2556 0.4729000      0.5112000 
1 1 1 20 1  20 f 3.1280  0.6764 1.385000       1.353000  
1 1 1 20 1  21 o 10.940  0.2732 -0.5534000     0.5463000 
1 1 1 20 1  22 o 10.540  0.2791 -0.2710000     0.5582000 
1 1 1 20 1  23 o 14.890  0.2487 -0.3956000     0.4974000 
1 1 1 20 1  24 o 13.740  0.2674 -0.1864000     0.5348000 
1 1 1 20 1  25 o 18.610  0.3336 ?              ?         
1 1 1 20 1  26 o 13.540  0.4042 0.6832000      0.8084000 
1 1 1 20 1  27 o 9.1550  0.5687 -2.115000      1.137000  
1 1 1 20 1  28 o 3.9060  0.9349 1.763000       1.870000  
1 1 1 20 1  29 o 5.6200  0.6202 -1.838000      1.240000  
1 1 1 20 1  30 o 5.3170  0.7039 0.7898000      1.408000  
1 1 1 20 1  31 o 4.2570  0.6976 1.992000       1.395000  
1 1 1 20 1  32 o 13.740  0.2280 -0.5997000E-01 0.4559000 
1 1 1 20 1  33 o 6.4590  0.4056 0.6905000      0.8112000 
1 1 1 20 1  34 o 8.1150  0.3327 0.1552000      0.6655000 
1 1 1 20 1  35 o 20.120  0.1887 0.1522000      0.3773000 
1 1 1 20 1  36 o 6.4630  0.4051 -0.8737000     0.8102000 
1 1 1 20 1  37 o 2.5360  0.6785 0.5625000      1.357000  
1 1 1 20 1  38 o 2.5950  0.6893 -0.1043000     1.379000  
1 1 1 20 1  39 o 7.1090  0.3539 0.1643000      0.7078000 
1 1 1 20 1  40 f 5.5320  0.4487 -0.2781000     0.8974000 
1 1 1 20 1  41 o 10.450  0.2570 0.7304000      0.5140000 
1 1 1 20 1  42 o 7.1570  0.3460 0.4252000      0.6921000 
1 1 1 20 1  43 o 5.1700  0.4928 -1.850000      0.9856000 
1 1 1 20 1  44 o 3.2180  0.6247 1.646000       1.249000  
1 1 1 20 1  45 o 2.9410  0.6766 0.1209000      1.353000  
1 1 1 20 1  46 o 2.1270  0.6293 0.3506000      1.259000  
1 1 1 20 1  47 o 6.6240  0.4192 -0.1457000     0.8383000 
1 1 1 20 1  48 o 6.0970  0.4515 0.3165000      0.9031000 
1 1 1 20 1  49 o 4.9670  0.6020 2.131000       1.204000  
1 1 1 20 1  50 o 5.0850  0.4973 0.3281000      0.9946000 
1 1 1 20 1  51 o 3.4900  0.6851 0.7491000      1.370000  
1 1 1 20 1  52 o 2.7300  0.7614 -0.9322000E-01 1.523000  
1 1 1 20 1  53 o 5.8550  0.4628 -0.7333000     0.9256000 
1 1 1 20 1  54 o 10.970  0.2625 -0.1466000E-02 0.5250000 
1 1 1 20 1  55 f 3.9390  0.6397 1.240000       1.279000  
1 1 1 20 1  56 o 2.3610  0.6567 -0.1875000     1.313000  
1 1 1 20 1  57 o 2.6500  0.6691 0.1009000E-01  1.338000  
1 1 1 20 1  58 o 2.7290  0.5355 2.133000       1.071000  
1 1 1 20 1  59 o 4.4570  0.4710 -0.2102000E-01 0.9420000 
1 1 1 20 1  60 o 7.1670  0.3065 -0.9448000     0.6130000 
1 1 1 20 1  61 o 3.0410  0.6008 -1.672000      1.202000  
1 1 1 20 1  62 o 2.1740  0.5612 -1.202000      1.122000  
1 1 1 20 1  63 f 4.2000  0.5385 -2.070000      1.077000  
1 1 1 20 2  0  o 45.170  0.3814 0.000000       0.000000  
1 1 1 20 2  1  o 9.9710  0.2437 0.6311000      0.4874000 
1 1 1 20 2  2  o 18.770  0.1717 -0.6195000E-01 0.3433000 
1 1 1 20 2  3  o 11.140  0.2069 1.078000       0.4139000 
1 1 1 20 2  4  o 14.650  0.1909 -0.2899000E-01 0.3818000 
1 1 1 20 2  5  o 24.700  0.1922 -0.4743000     0.3844000 
1 1 1 20 2  6  o 21.210  0.1726 -0.6220000E-01 0.3453000 
1 1 1 20 2  7  o 9.3710  0.2945 0.1158000      0.5889000 
1 1 1 20 2  8  o 19.260  0.1991 -0.4481000E-01 0.3982000 
1 1 1 20 2  9  o 23.560  0.1942 -0.6772000     0.3885000 
1 1 1 20 2  10 f 3.2060  0.6555 0.8445000      1.311000  
1 1 1 20 2  11 o 5.5450  0.4832 0.4785000E-01  0.9663000 
1 1 1 20 2  12 o 9.7790  0.2890 -0.8324000     0.5780000 
1 1 1 20 2  13 o 11.440  0.2539 -0.5154000     0.5078000 
1 1 1 20 2  14 o 2.9650  0.7038 -0.4051000     1.408000  
1 1 1 20 2  15 o 7.2000  0.3807 1.127000       0.7614000 
1 1 1 20 2  16 o 17.310  0.2055 0.4102000      0.4109000 
1 1 1 20 2  17 o 16.790  0.2629 ?              ?         
1 1 1 20 2  18 o 27.500  0.1985 0.1581000      0.3969000 
1 1 1 20 2  19 o 4.8450  0.5847 0.9055000      1.169000  
1 1 1 20 2  20 o 22.920  0.1967 -0.4982000     0.3934000 
1 1 1 20 2  21 o 17.660  0.2094 -0.7992000     0.4188000 
1 1 1 20 2  22 o 8.7690  0.3267 -0.8089000     0.6534000 
1 1 1 20 2  23 o 2.7870  0.7110 -1.147000      1.422000  
1 1 1 20 2  24 o 8.7280  0.3269 -0.8960000     0.6538000 
1 1 1 20 2  25 o 14.010  0.2666 0.1776000      0.5333000 
1 1 1 20 2  26 o 5.0350  0.8077 3.877000       1.615000  
1 1 1 20 2  27 o 9.1430  0.5526 -0.8355000     1.105000  
1 1 1 20 2  28 o 13.920  0.5873 ?              ?         
1 1 1 20 2  29 o 4.0980  1.0810 ?              ?         
1 1 1 20 2  30 o 4.0440  0.8164 -0.3557000     1.633000  
1 1 1 20 2  31 o 12.770  0.2715 0.2392000      0.5430000 
1 1 1 20 2  32 o 7.0520  0.3851 -1.015000      0.7703000 
1 1 1 20 2  33 o 11.480  0.2507 -0.2735000     0.5014000 
1 1 1 20 2  34 o 7.9550  0.3384 -0.1158000E-01 0.6768000 
1 1 1 20 2  35 o 22.980  0.1846 0.3866000      0.3693000 
1 1 1 20 2  36 o 13.300  0.2283 -0.7388000E-01 0.4565000 
1 1 1 20 2  37 o 2.6440  0.6940 -0.1069000     1.388000  
1 1 1 20 2  38 o 3.9870  0.6265 -1.011000      1.253000  
1 1 1 20 2  39 o 5.1830  0.4897 -0.8134000     0.9794000 
1 1 1 20 2  40 o 10.890  0.2519 0.3020000      0.5039000 
1 1 1 20 2  41 o 5.3520  0.4611 -0.1221000     0.9222000 
1 1 1 20 2  42 o 12.060  0.2302 -0.4543000     0.4604000 
1 1 1 20 2  43 o 6.8030  0.3647 -0.7319000     0.7295000 
1 1 1 20 2  44 o 9.1540  0.2778 0.6547000      0.5555000 
1 1 1 20 2  45 o 6.2490  0.3958 -0.4685000     0.7916000 
1 1 1 20 2  46 o 12.690  0.2587 0.9441000      0.5175000 
1 1 1 20 2  47 o 3.6540  0.6320 0.6150000      1.264000  
1 1 1 20 2  48 o 4.9990  0.4985 -0.3861000     0.9969000 
1 1 1 20 2  49 o 3.8090  0.5928 -1.658000      1.186000  
1 1 1 20 2  50 o 5.4530  0.5284 -0.2601000     1.057000  
1 1 1 20 2  51 f 3.4970  0.5749 -2.769000      1.150000  
1 1 1 20 2  52 o 4.7860  0.6104 1.653000       1.221000  
1 1 1 20 2  53 o 3.1720  0.6845 1.378000       1.369000  
1 1 1 20 2  54 o 3.2600  0.8863 ?              ?         
1 1 1 20 2  55 o 2.4380  0.6204 1.088000       1.241000  
1 1 1 20 2  56 o 8.0300  0.3516 0.6510000      0.7032000 
1 1 1 20 2  57 o 4.5030  0.5744 -0.1210000     1.149000  
1 1 1 20 2  58 o 4.8550  0.4192 -0.2407000     0.8384000 
1 1 1 20 2  59 o 3.8760  0.5349 -1.011000      1.070000  
1 1 1 20 2  60 o 4.5120  0.4244 1.106000       0.8488000 
1 1 1 20 2  61 o 3.3830  0.5574 0.3819000      1.115000  
1 1 1 20 2  62 f 6.2280  0.3279 -1.250000      0.6557000 
1 1 1 20 2  63 o 3.4690  0.5208 -2.518000      1.042000  
1 1 1 20 3  0  o 14.250  0.2734 0.000000       0.000000  
1 1 1 20 3  1  o 18.770  0.1761 -0.9548000     0.3523000 
1 1 1 20 3  2  f 22.230  0.1808 -0.1538000     0.3615000 
1 1 1 20 3  3  o 15.530  0.2131 0.1408000      0.4261000 
1 1 1 20 3  4  o 12.340  0.2143 0.3534000      0.4286000 
1 1 1 20 3  5  o 17.640  0.1791 -0.5636000E-01 0.3583000 
1 1 1 20 3  6  o 20.970  0.1948 -0.2713000     0.3895000 
1 1 1 20 3  7  o 12.700  0.2138 -0.3896000     0.4275000 
1 1 1 20 3  8  o 7.0890  0.3079 0.5882000      0.6158000 
1 1 1 20 3  9  o 8.4960  0.2662 0.5285000E-01  0.5323000 
1 1 1 20 3  10 o 6.5350  0.3390 -0.4469000     0.6779000 
1 1 1 20 3  11 o 23.510  0.1707 0.2984000      0.3415000 
1 1 1 20 3  12 o 12.790  0.1939 0.7718000      0.3879000 
1 1 1 20 3  13 o 3.5870  0.6046 2.358000       1.209000  
1 1 1 20 3  14 o 23.210  0.1932 0.3766000      0.3864000 
1 1 1 20 3  15 f 8.6580  0.3178 -0.9094000     0.6357000 
1 1 1 20 3  16 o 11.690  0.2564 0.2218000      0.5128000 
1 1 1 20 3  17 o 27.380  0.1974 0.1404000      0.3949000 
1 1 1 20 3  18 o 16.540  0.2128 0.2869000E-01  0.4255000 
1 1 1 20 3  19 o 13.160  0.2408 -0.4298000     0.4815000 
1 1 1 20 3  20 o 12.300  0.2518 -0.4757000     0.5037000 
1 1 1 20 3  21 o 8.9150  0.3191 -0.7812000     0.6383000 
1 1 1 20 3  22 o 10.190  0.2946 0.4989000      0.5892000 
1 1 1 20 3  23 o 4.5300  0.6167 -0.8887000     1.233000  
1 1 1 20 3  24 o 20.730  0.2044 -0.1271000     0.4088000 
1 1 1 20 3  25 o 12.110  0.2710 0.4211000      0.5420000 
1 1 1 20 3  26 o 11.970  0.3788 0.2325000      0.7577000 
1 1 1 20 3  27 o 14.710  0.3288 -1.358000      0.6577000 
1 1 1 20 3  28 o 2.7210  0.7592 1.128000       1.518000  
1 1 1 20 3  29 o 9.4710  0.3631 0.2942000      0.7262000 
1 1 1 20 3  30 o 6.2450  0.6016 0.9419000      1.203000  
1 1 1 20 3  31 o 7.2210  0.5041 -0.4186000     1.008000  
1 1 1 20 3  32 o 19.140  0.2078 0.6274000E-01  0.4156000 
1 1 1 20 3  33 o 13.120  0.2490 0.3890000      0.4979000 
1 1 1 20 3  34 o 5.7600  0.4795 1.607000       0.9590000 
1 1 1 20 3  35 o 5.6140  0.5160 0.1293000      1.032000  
1 1 1 20 3  36 o 14.710  0.2138 0.5561000      0.4275000 
1 1 1 20 3  37 o 6.7270  0.3857 -0.9994000E-01 0.7715000 
1 1 1 20 3  38 o 15.370  0.2055 -0.6900000     0.4110000 
1 1 1 20 3  39 o 6.1870  0.4216 1.409000       0.8433000 
1 1 1 20 3  40 o 4.2560  0.5979 -1.037000      1.196000  
1 1 1 20 3  41 o 7.9110  0.3194 0.5065000      0.6387000 
1 1 1 20 3  42 o 3.1550  0.6796 -0.5057000     1.359000  
1 1 1 20 3  43 o 6.4900  0.3733 -1.039000      0.7466000 
1 1 1 20 3  44 o 8.8510  0.3310 0.7105000      0.6621000 
1 1 1 20 3  45 o 3.6050  0.6919 -1.649000      1.384000  
1 1 1 20 3  46 o 3.9220  0.6048 -0.2908000     1.210000  
1 1 1 20 3  47 o 7.5870  0.3367 -0.1360000     0.6734000 
1 1 1 20 3  48 o 9.8060  0.2572 0.1331000      0.5145000 
1 1 1 20 3  49 o 2.7890  0.7047 -0.4519000     1.409000  
1 1 1 20 3  50 o 5.9230  0.4739 -1.104000      0.9477000 
1 1 1 20 3  51 o 3.6060  0.7070 0.2689000      1.414000  
1 1 1 20 3  52 o 4.0450  0.6517 -0.6662000     1.303000  
1 1 1 20 3  53 o 7.2060  0.5185 1.297000       1.037000  
1 1 1 20 3  54 f 2.9150  0.6761 0.4915000      1.352000  
1 1 1 20 3  55 o 9.9760  0.2379 0.3297000      0.4757000 
1 1 1 20 3  56 o 4.0150  0.5260 -1.560000      1.052000  
1 1 1 20 3  57 o 2.7000  0.6110 0.9758000      1.222000  
1 1 1 20 3  58 o 3.6540  0.5875 -1.017000      1.175000  
1 1 1 20 3  59 o 6.2260  0.3372 -0.2202000     0.6744000 
1 1 1 20 3  60 o 7.3110  0.3014 0.1915000      0.6028000 
1 1 1 20 3  61 o 2.8020  0.5994 -0.1350000     1.199000  
1 1 1 20 3  62 o 5.3680  0.3685 -0.7151000     0.7369000 
1 1 1 20 3  63 o 3.0860  0.5965 0.7282000      1.193000  
1 1 1 20 4  0  o 4.8810  0.8261 0.000000       0.000000  
1 1 1 20 4  1  o 17.010  0.1798 -0.3553000     0.3595000 
1 1 1 20 4  2  o 24.240  0.1713 0.6160000      0.3425000 
1 1 1 20 4  3  o 8.9990  0.2997 0.2078000      0.5994000 
1 1 1 20 4  4  o 12.280  0.2186 0.1534000      0.4373000 
1 1 1 20 4  5  o 20.230  0.1992 -0.2912000     0.3983000 
1 1 1 20 4  6  o 6.1620  0.3565 0.3410000E-02  0.7130000 
1 1 1 20 4  7  o 17.010  0.1997 -1.112000      0.3995000 
1 1 1 20 4  8  o 23.640  0.1708 -0.2657000     0.3417000 
1 1 1 20 4  9  o 12.410  0.2003 0.4365000      0.4007000 
1 1 1 20 4  10 o 17.740  0.1678 -0.9830000E-01 0.3357000 
1 1 1 20 4  11 o 6.6240  0.3308 0.4557000      0.6615000 
1 1 1 20 4  12 o 8.4000  0.2875 0.4575000      0.5751000 
1 1 1 20 4  13 f 25.140  0.1716 0.4077000      0.3433000 
1 1 1 20 4  14 o 18.420  0.2025 0.3388000      0.4050000 
1 1 1 20 4  15 o 7.0680  0.3919 0.8652000      0.7838000 
1 1 1 20 4  16 o 24.100  0.1950 -0.6102000     0.3901000 
1 1 1 20 4  17 o 5.9860  0.4813 1.324000       0.9627000 
1 1 1 20 4  18 o 14.950  0.2245 0.3148000      0.4489000 
1 1 1 20 4  19 o 21.410  0.1989 0.6978000E-01  0.3978000 
1 1 1 20 4  20 o 8.3310  0.3438 0.5174000      0.6877000 
1 1 1 20 4  21 o 8.2710  0.3431 -0.7488000     0.6863000 
1 1 1 20 4  22 o 5.4460  0.5080 -0.7418000     1.016000  
1 1 1 20 4  23 o 14.370  0.2343 -0.1022000     0.4686000 
1 1 1 20 4  24 o 18.360  0.2132 0.2880000      0.4263000 
1 1 1 20 4  25 o 12.750  0.3598 0.2952000      0.7196000 
1 1 1 20 4  26 o 4.2880  0.8178 -2.564000      1.636000  
1 1 1 20 4  27 o 10.550  0.4218 0.8808000      0.8436000 
1 1 1 20 4  28 o 7.5840  0.3569 -1.141000      0.7138000 
1 1 1 20 4  29 o 14.120  0.3322 ?              ?         
1 1 1 20 4  30 o 6.2850  0.6087 -1.184000      1.217000  
1 1 1 20 4  31 o 9.1370  0.3989 -0.4451000     0.7978000 
1 1 1 20 4  32 o 3.0050  0.7202 1.556000       1.440000  
1 1 1 20 4  33 o 3.9410  0.7128 -0.8310000     1.426000  
1 1 1 20 4  34 o 4.8660  0.6344 -2.829000      1.269000  
1 1 1 20 4  35 o 8.6560  0.3684 -1.803000      0.7369000 
1 1 1 20 4  36 o 7.4030  0.4063 0.2850000      0.8125000 
1 1 1 20 4  37 o 8.3770  0.3717 -1.494000      0.7434000 
1 1 1 20 4  38 o 3.5280  0.7351 -0.1964000     1.470000  
1 1 1 20 4  39 o 9.3760  0.3272 1.026000       0.6544000 
1 1 1 20 4  40 o 15.540  0.2379 -0.8303000     0.4757000 
1 1 1 20 4  41 o 11.810  0.2727 0.9211000      0.5454000 
1 1 1 20 4  42 o 4.3760  0.6491 0.3659000      1.298000  
1 1 1 20 4  43 o 7.5930  0.5514 -0.4619000E-01 1.103000  
1 1 1 20 4  44 o 5.4570  0.6015 1.601000       1.203000  
1 1 1 20 4  45 f 2.3150  0.6746 -1.217000      1.349000  
1 1 1 20 4  46 f 4.0700  0.6297 -1.801000      1.259000  
1 1 1 20 4  47 o 3.0840  0.6955 -1.469000      1.391000  
1 1 1 20 4  48 o 7.2610  0.3378 0.6320000      0.6755000 
1 1 1 20 4  49 o 3.5090  0.6239 -1.929000      1.248000  
1 1 1 20 4  50 o 4.4500  0.5386 -0.9375000     1.077000  
1 1 1 20 4  51 o 2.0070  0.6023 -0.5146000     1.205000  
1 1 1 20 4  52 o 7.4200  0.3521 -0.2699000     0.7042000 
1 1 1 20 4  53 o 1.6840  0.5535 -0.2894000     1.107000  
1 1 1 20 4  54 f 5.0000  0.4938 2.009000       0.9876000 
1 1 1 20 4  55 o 2.4260  0.6383 -0.9187000E-01 1.277000  
1 1 1 20 4  56 o 1.5550  0.5117 0.2622000      1.023000  
1 1 1 20 4  57 o 3.8270  0.5677 1.700000       1.135000  
1 1 1 20 4  58 o 2.2290  0.5597 1.306000       1.119000  
1 1 1 20 4  59 o 4.8140  0.5116 1.452000       1.023000  
1 1 1 20 4  60 o 1.8370  0.5613 0.4138000      1.123000  
1 1 1 20 4  61 o 2.6810  0.6420 -0.4537000     1.284000  
1 1 1 20 4  62 o 2.6330  0.6207 0.9199000      1.241000  
1 1 1 20 5  0  o 11.930  0.3647 0.000000       0.000000  
1 1 1 20 5  1  o 10.840  0.2582 0.4980000      0.5164000 
1 1 1 20 5  2  o 24.050  0.2525 -0.3605000     0.5050000 
1 1 1 20 5  3  f 15.490  0.2196 0.3852000      0.4392000 
1 1 1 20 5  4  o 12.300  0.2237 0.5881000      0.4473000 
1 1 1 20 5  5  o 7.1070  0.3537 -0.6483000     0.7073000 
1 1 1 20 5  6  o 34.410  0.1878 -0.1756000     0.3756000 
1 1 1 20 5  7  o 20.050  0.1646 0.3841000      0.3291000 
1 1 1 20 5  8  o 8.5540  0.3268 2.085000       0.6535000 
1 1 1 20 5  9  o 16.370  0.2006 1.273000       0.4013000 
1 1 1 20 5  10 o 17.530  0.1795 0.4845000      0.3591000 
1 1 1 20 5  11 o 14.140  0.1968 0.1978000      0.3936000 
1 1 1 20 5  12 o 5.2010  0.4426 -0.6830000E-01 0.8852000 
1 1 1 20 5  13 o 12.430  0.2122 -0.4262000     0.4244000 
1 1 1 20 5  14 o 27.710  0.1741 -0.1973000     0.3482000 
1 1 1 20 5  15 o 15.730  0.1874 0.3152000E-01  0.3748000 
1 1 1 20 5  16 o 10.0000 0.2897 0.6239000      0.5793000 
1 1 1 20 5  17 o 9.0460  0.3382 0.3738000      0.6764000 
1 1 1 20 5  18 o 19.210  0.2020 0.6150000E-01  0.4041000 
1 1 1 20 5  19 o 7.9370  0.3645 0.9622000      0.7290000 
1 1 1 20 5  20 o 3.9220  0.6775 0.4274000      1.355000  
1 1 1 20 5  21 o 11.680  0.2660 0.7477000      0.5320000 
1 1 1 20 5  22 o 7.4460  0.3835 -0.1450000     0.7670000 
1 1 1 20 5  23 o 23.150  0.2018 0.2558000      0.4036000 
1 1 1 20 5  24 o 18.180  0.2180 0.4200000      0.4361000 
1 1 1 20 5  25 o 14.870  0.3258 0.1483000      0.6517000 
1 1 1 20 5  26 o 10.300  0.4352 1.054000       0.8705000 
1 1 1 20 5  27 o 18.160  0.2251 0.1202000      0.4502000 
1 1 1 20 5  28 o 2.7180  0.7235 0.3495000      1.447000  
1 1 1 20 5  29 o 13.440  0.2687 0.3946000      0.5373000 
1 1 1 20 5  30 o 8.9000  0.3320 0.7046000      0.6640000 
1 1 1 20 5  31 o 3.1400  0.7012 -2.178000      1.402000  
1 1 1 20 5  32 o 2.4450  0.6839 -0.1557000     1.368000  
1 1 1 20 5  33 o 2.6810  0.7014 0.6219000E-01  1.403000  
1 1 1 20 5  34 o 3.3850  0.6890 -0.9903000     1.378000  
1 1 1 20 5  35 f 6.8380  0.4281 0.1509000      0.8563000 
1 1 1 20 5  36 o 4.1720  0.6715 1.048000       1.343000  
1 1 1 20 5  37 o 2.8760  0.6964 0.8485000      1.393000  
1 1 1 20 5  38 o 7.5410  0.3754 -0.7160000     0.7508000 
1 1 1 20 5  39 o 4.3490  0.6304 -0.3821000     1.261000  
1 1 1 20 5  40 o 3.6240  0.6985 -0.2172000     1.397000  
1 1 1 20 5  41 o 4.6840  0.5975 -0.3241000E-01 1.195000  
1 1 1 20 5  42 o 7.0480  0.4824 0.3178000      0.9649000 
1 1 1 20 5  43 o 2.2470  0.6083 -1.572000      1.217000  
1 1 1 20 5  44 o 7.3900  0.3405 0.2911000      0.6810000 
1 1 1 20 5  45 o 1.6270  0.5306 -0.9031000E-01 1.061000  
1 1 1 20 5  46 o 1.8960  0.5796 -0.1144000     1.159000  
1 1 1 20 5  47 o 7.4980  0.3720 -1.385000      0.7440000 
1 1 1 20 5  48 o 9.6020  0.4179 0.6281000      0.8357000 
1 1 1 20 5  49 o 3.5510  0.7204 -1.712000      1.441000  
1 1 1 20 5  50 o 2.4820  0.6853 0.5371000      1.371000  
1 1 1 20 5  51 o 4.8290  0.5544 0.5614000      1.109000  
1 1 1 20 5  52 o 8.9780  0.3259 -0.9890000     0.6517000 
1 1 1 20 5  53 o 8.6400  0.3396 1.388000       0.6793000 
1 1 1 20 5  54 o 8.8730  0.2807 1.843000       0.5613000 
1 1 1 20 5  55 o 1.9500  0.5789 0.3342000      1.158000  
1 1 1 20 5  56 o 2.7950  0.6263 -0.5001000     1.253000  
1 1 1 20 5  57 o 2.5250  0.6473 -0.2352000     1.295000  
1 1 1 20 5  58 o 1.9240  0.5935 -0.3685000     1.187000  
1 1 1 20 5  59 o 6.1480  0.3478 0.4281000E-01  0.6956000 
1 1 1 20 5  60 o 6.1420  0.3511 -0.6139000     0.7022000 
1 1 1 20 5  61 o 6.0210  0.3692 0.1108000      0.7384000 
1 1 1 20 5  62 o 4.1750  0.5311 -0.4377000     1.062000  
1 1 1 20 6  0  o 16.850  0.3129 0.000000       0.000000  
1 1 1 20 6  1  o 14.700  0.2176 -0.1457000     0.4351000 
1 1 1 20 6  2  o 12.160  0.3428 1.265000       0.6857000 
1 1 1 20 6  3  o 17.170  0.2131 -0.5403000     0.4261000 
1 1 1 20 6  4  f 27.010  0.1992 -0.1945000     0.3984000 
1 1 1 20 6  5  o 12.060  0.2204 -0.2178000     0.4409000 
1 1 1 20 6  6  o 18.780  0.1857 -0.1223000     0.3715000 
1 1 1 20 6  7  o 21.330  0.1636 0.5276000      0.3272000 
1 1 1 20 6  8  o 2.6510  0.6839 0.1361000      1.368000  
1 1 1 20 6  9  o 20.640  0.1733 -0.2925000E-01 0.3467000 
1 1 1 20 6  10 o 16.870  0.1824 0.7565000      0.3647000 
1 1 1 20 6  11 o 10.620  0.2343 0.4212000E-02  0.4686000 
1 1 1 20 6  12 o 6.2970  0.3751 1.448000       0.7503000 
1 1 1 20 6  13 o 14.890  0.1908 -0.1679000     0.3816000 
1 1 1 20 6  14 o 7.9590  0.2966 -0.1148000     0.5933000 
1 1 1 20 6  15 o 15.570  0.1892 0.4256000      0.3783000 
1 1 1 20 6  16 o 18.750  0.1773 -0.2237000E-01 0.3546000 
1 1 1 20 6  17 o 9.3360  0.2680 0.9786000      0.5361000 
1 1 1 20 6  18 o 11.190  0.2704 0.8396000      0.5408000 
1 1 1 20 6  19 o 10.160  0.2942 0.6531000E-02  0.5884000 
1 1 1 20 6  20 o 20.800  0.2034 0.4966000      0.4069000 
1 1 1 20 6  21 o 29.370  0.2045 0.7591000E-01  0.4089000 
1 1 1 20 6  22 o 15.560  0.2295 0.5955000      0.4591000 
1 1 1 20 6  23 o 25.670  0.2063 0.5454000      0.4126000 
1 1 1 20 6  24 o 20.450  0.2885 -0.1550000     0.5770000 
1 1 1 20 6  25 o 6.5740  0.7124 2.400000       1.425000  
1 1 1 20 6  26 o 13.800  0.3419 -0.6827000     0.6838000 
1 1 1 20 6  27 o 15.770  0.3210 2.769000       0.6420000 
1 1 1 20 6  28 o 12.360  0.3470 0.1893000      0.6939000 
1 1 1 20 6  29 o 7.8920  0.4859 -0.9664000     0.9718000 
1 1 1 20 6  30 o 7.6810  0.4170 0.6292000      0.8339000 
1 1 1 20 6  31 o 11.730  0.2942 -0.8052000E-01 0.5883000 
1 1 1 20 6  32 o 8.1670  0.3689 -0.3854000     0.7378000 
1 1 1 20 6  33 o 2.2240  0.6622 -1.461000      1.324000  
1 1 1 20 6  34 o 4.7100  0.5377 0.6544000      1.075000  
1 1 1 20 6  35 o 16.700  0.1892 0.3852000      0.3784000 
1 1 1 20 6  36 o 2.6520  0.6775 0.5247000      1.355000  
1 1 1 20 6  37 o 5.5550  0.4487 0.4420000E-01  0.8975000 
1 1 1 20 6  38 o 3.9400  0.5959 2.118000       1.192000  
1 1 1 20 6  39 f 6.8050  0.3338 0.3812000      0.6675000 
1 1 1 20 6  40 o 9.1470  0.2823 -0.3210000     0.5646000 
1 1 1 20 6  41 o 3.7980  0.6774 -1.546000      1.355000  
1 1 1 20 6  42 o 3.4430  0.6303 0.3690000      1.261000  
1 1 1 20 6  43 o 2.2210  0.5869 -1.335000      1.174000  
1 1 1 20 6  44 o 10.310  0.2462 0.9095000      0.4925000 
1 1 1 20 6  45 o 7.8470  0.2768 0.3332000      0.5535000 
1 1 1 20 6  46 o 12.330  0.2009 0.3313000      0.4018000 
1 1 1 20 6  47 o 4.9220  0.4769 0.2567000      0.9539000 
1 1 1 20 6  48 o 4.8150  0.5611 -1.329000      1.122000  
1 1 1 20 6  49 o 2.3370  0.6403 0.9556000E-01  1.281000  
1 1 1 20 6  50 o 2.6210  0.6282 -1.177000      1.256000  
1 1 1 20 6  51 o 6.6890  0.3358 0.2726000      0.6715000 
1 1 1 20 6  52 o 10.690  0.2156 0.2755000      0.4312000 
1 1 1 20 6  53 o 5.2810  0.4411 0.3840000      0.8823000 
1 1 1 20 6  54 o 2.4550  0.6801 0.5220000      1.360000  
1 1 1 20 6  55 o 3.7140  0.6376 1.153000       1.275000  
1 1 1 20 6  56 o 2.8800  0.6922 0.1584000      1.384000  
1 1 1 20 6  57 o 4.1320  0.6082 0.5165000      1.216000  
1 1 1 20 6  58 o 2.2150  0.8889 ?              ?         
1 1 1 20 6  59 o 1.6630  0.5178 0.6889000      1.036000  
1 1 1 20 6  60 o 4.4190  0.5065 -0.3147000     1.013000  
1 1 1 20 6  61 o 3.9890  0.5467 0.6752000E-01  1.093000  
1 1 1 20 6  62 o 1.6430  0.5452 -0.1902000     1.090000  
1 1 1 20 7  0  o 12.960  0.3030 0.000000       0.000000  
1 1 1 20 7  1  o 21.140  0.1968 0.5621000      0.3936000 
1 1 1 20 7  2  o 12.550  0.3496 1.378000       0.6993000 
1 1 1 20 7  3  o 22.660  0.2008 1.082000       0.4017000 
1 1 1 20 7  4  o 17.340  0.2132 -0.1908000     0.4264000 
1 1 1 20 7  5  o 14.440  0.1966 0.7824000      0.3932000 
1 1 1 20 7  6  o 16.450  0.2023 0.5375000      0.4046000 
1 1 1 20 7  7  o 9.2150  0.3022 0.9210000      0.6044000 
1 1 1 20 7  8  o 15.220  0.2073 -0.9165000E-01 0.4146000 
1 1 1 20 7  9  o 16.620  0.1998 0.3791000      0.3996000 
1 1 1 20 7  10 o 5.8710  0.4248 0.6731000      0.8497000 
1 1 1 20 7  11 o 7.5900  0.3068 -0.9114000     0.6136000 
1 1 1 20 7  12 o 10.960  0.2288 0.1515000      0.4577000 
1 1 1 20 7  13 o 13.360  0.2022 0.8462000E-01  0.4044000 
1 1 1 20 7  14 o 8.1250  0.3004 -2.539000      0.6008000 
1 1 1 20 7  15 o 4.4800  0.5246 -0.1544000     1.049000  
1 1 1 20 7  16 o 10.210  0.2486 0.3475000      0.4971000 
1 1 1 20 7  17 o 13.490  0.2062 -0.3845000     0.4124000 
1 1 1 20 7  18 o 8.4900  0.2936 0.6165000      0.5871000 
1 1 1 20 7  19 o 20.380  0.2057 0.2070000      0.4115000 
1 1 1 20 7  20 o 2.3720  0.6939 -0.3467000     1.388000  
1 1 1 20 7  21 f 6.1600  0.4582 -0.3292000     0.9163000 
1 1 1 20 7  22 o 6.9850  0.4275 0.4083000      0.8551000 
1 1 1 20 7  23 o 7.1650  0.5746 0.5843000      1.149000  
1 1 1 20 7  24 o 19.310  0.2965 0.3554000      0.5930000 
1 1 1 20 7  25 o 10.600  0.4084 -0.3437000     0.8168000 
1 1 1 20 7  26 o 2.4700  0.6496 1.103000       1.299000  
1 1 1 20 7  27 o 4.3570  0.6572 2.226000       1.314000  
1 1 1 20 7  28 o 7.6680  0.4133 -0.8763000     0.8265000 
1 1 1 20 7  29 o 4.2690  0.6438 1.138000       1.288000  
1 1 1 20 7  30 o 13.140  0.2430 0.5962000      0.4859000 
1 1 1 20 7  31 o 14.030  0.2207 -0.7941000     0.4415000 
1 1 1 20 7  32 o 8.1840  0.3346 0.9249000      0.6693000 
1 1 1 20 7  33 o 6.5530  0.3327 -1.120000      0.6654000 
1 1 1 20 7  34 o 2.8010  0.6257 0.5898000      1.251000  
1 1 1 20 7  35 o 7.8940  0.2765 -0.3653000     0.5529000 
1 1 1 20 7  36 o 15.310  0.1740 -0.9293000E-01 0.3480000 
1 1 1 20 7  37 o 6.1140  0.3513 0.7317000      0.7027000 
1 1 1 20 7  38 o 2.6630  0.6267 0.1146000      1.253000  
1 1 1 20 7  39 o 5.8690  0.4144 -0.1822000     0.8288000 
1 1 1 20 7  40 o 9.1890  0.3153 1.254000       0.6306000 
1 1 1 20 7  41 o 2.7380  0.6134 1.328000       1.227000  
1 1 1 20 7  42 o 15.200  0.1798 0.2229000      0.3596000 
1 1 1 20 7  43 o 6.0540  0.3421 -1.001000      0.6842000 
1 1 1 20 7  44 o 7.9710  0.2675 -0.3394000     0.5350000 
1 1 1 20 7  45 o 4.7550  0.4630 -1.935000      0.9260000 
1 1 1 20 7  46 o 7.5320  0.3062 -0.2552000     0.6124000 
1 1 1 20 7  47 o 3.3620  0.6116 1.422000       1.223000  
1 1 1 20 7  48 o 2.7530  0.6356 -0.7363000     1.271000  
1 1 1 20 7  49 o 10.420  0.2273 0.9528000      0.4547000 
1 1 1 20 7  50 o 4.5020  0.4826 -0.4041000     0.9653000 
1 1 1 20 7  51 o 2.9930  0.5998 0.1926000E-01  1.200000  
1 1 1 20 7  52 o 2.0410  0.5847 0.1782000E-01  1.169000  
1 1 1 20 7  53 o 2.3250  0.5949 -1.150000      1.190000  
1 1 1 20 7  54 o 6.5250  0.3459 -0.3832000     0.6918000 
1 1 1 20 7  55 o 7.2400  0.3698 0.2315000      0.7396000 
1 1 1 20 7  56 o 3.2350  0.5871 -0.8664000     1.174000  
1 1 1 20 7  57 o 2.7010  0.6308 -0.7376000E-01 1.262000  
1 1 1 20 7  58 o 5.1270  0.4394 -1.525000      0.8788000 
1 1 1 20 7  59 o 7.2910  0.3504 -0.1792000     0.7009000 
1 1 1 20 7  60 o 7.3690  0.3833 0.2079000      0.7665000 
1 1 1 20 7  61 o 2.3920  0.6747 0.4716000      1.349000  
1 1 1 20 8  0  o 18.810  0.3090 0.000000       0.000000  
1 1 1 20 8  1  o 7.4390  0.3784 0.8146000      0.7569000 
1 1 1 20 8  2  o 3.9820  0.7921 0.1180000      1.584000  
1 1 1 20 8  3  o 12.350  0.2564 0.6399000E-01  0.5128000 
1 1 1 20 8  4  o 18.890  0.1959 0.3326000      0.3917000 
1 1 1 20 8  5  o 22.670  0.1873 -0.2724000     0.3746000 
1 1 1 20 8  6  o 26.760  0.1900 0.1050000      0.3799000 
1 1 1 20 8  7  o 9.9910  0.2726 -0.2661000     0.5453000 
1 1 1 20 8  8  o 21.500  0.1885 0.2280000      0.3769000 
1 1 1 20 8  9  o 12.960  0.2442 -0.2791000     0.4884000 
1 1 1 20 8  10 o 2.6160  0.6591 -0.5848000     1.318000  
1 1 1 20 8  11 f 8.3750  0.3114 1.301000       0.6228000 
1 1 1 20 8  12 o 5.8160  0.3999 0.6693000      0.7998000 
1 1 1 20 8  13 o 15.550  0.1876 0.3935000      0.3752000 
1 1 1 20 8  14 o 23.590  0.1726 0.3027000      0.3453000 
1 1 1 20 8  15 o 28.670  0.1776 0.3810000      0.3551000 
1 1 1 20 8  16 o 12.660  0.2152 -0.4862000     0.4304000 
1 1 1 20 8  17 o 13.750  0.2052 -0.6568000     0.4103000 
1 1 1 20 8  18 o 4.8930  0.5101 0.8830000      1.020000  
1 1 1 20 8  19 o 10.510  0.2505 0.9093000      0.5011000 
1 1 1 20 8  20 o 8.9280  0.2847 0.5631000      0.5693000 
1 1 1 20 8  21 f 4.2400  0.6862 -0.2997000     1.372000  
1 1 1 20 8  22 o 14.350  0.3182 -0.9342000     0.6364000 
1 1 1 20 8  23 o 16.320  0.5452 ?              ?         
1 1 1 20 8  24 o 17.230  0.3024 -0.5868000     0.6047000 
1 1 1 20 8  25 o 16.770  0.2355 0.5396000      0.4710000 
1 1 1 20 8  26 o 10.450  0.2748 -0.2543000     0.5496000 
1 1 1 20 8  27 o 13.310  0.2402 -0.1866000E-02 0.4804000 
1 1 1 20 8  28 o 16.810  0.2133 -0.2679000     0.4265000 
1 1 1 20 8  29 f 14.470  0.2137 -1.495000      0.4274000 
1 1 1 20 8  30 o 3.6590  0.6401 0.2958000      1.280000  
1 1 1 20 8  31 o 4.2550  0.5641 0.1542000      1.128000  
1 1 1 20 8  32 o 7.6560  0.3174 -0.2863000     0.6348000 
1 1 1 20 8  33 o 7.3140  0.3259 0.9868000E-01  0.6519000 
1 1 1 20 8  34 o 3.8620  0.5508 -0.1586000E-01 1.102000  
1 1 1 20 8  35 o 3.1210  0.6135 0.2563000      1.227000  
1 1 1 20 8  36 o 4.0790  0.5155 0.3399000      1.031000  
1 1 1 20 8  37 o 6.8130  0.3363 -0.2015000     0.6726000 
1 1 1 20 8  38 o 1.8890  0.5905 -0.6213000     1.181000  
1 1 1 20 8  39 o 2.9620  0.6436 0.2070000      1.287000  
1 1 1 20 8  40 o 3.9760  0.5241 0.8418000      1.048000  
1 1 1 20 8  41 o 4.9880  0.3829 -0.5046000     0.7658000 
1 1 1 20 8  42 o 9.1230  0.2359 -0.8368000     0.4717000 
1 1 1 20 8  43 o 8.0370  0.2622 0.1299000      0.5244000 
1 1 1 20 8  44 o 7.0840  0.2861 -0.2197000     0.5722000 
1 1 1 20 8  45 o 11.200  0.2046 -0.1030000     0.4092000 
1 1 1 20 8  46 o 2.6630  0.6566 -0.1550000     1.313000  
1 1 1 20 8  47 o 2.6330  0.6348 0.6555000      1.270000  
1 1 1 20 8  48 o 2.4810  0.5729 -1.712000      1.146000  
1 1 1 20 8  49 o 4.4580  0.4764 0.1651000      0.9528000 
1 1 1 20 8  50 o 6.3500  0.3259 -0.5787000     0.6517000 
1 1 1 20 8  51 o 8.2460  0.2482 -0.6754000     0.4963000 
1 1 1 20 8  52 o 2.0000  0.5749 -0.7327000     1.150000  
1 1 1 20 8  53 o 6.5740  0.3100 0.4905000      0.6200000 
1 1 1 20 8  54 o 2.3100  0.6162 0.8890000E-01  1.232000  
1 1 1 20 8  55 o 7.6590  0.3074 -0.2210000E-01 0.6147000 
1 1 1 20 8  56 o 2.1860  0.6199 -0.5845000     1.240000  
1 1 1 20 8  57 o 10.630  0.2252 0.4641000      0.4504000 
1 1 1 20 8  58 o 1.6820  0.5408 -0.2612000     1.082000  
1 1 1 20 8  59 o 6.4970  0.3231 -0.7876000     0.6461000 
1 1 1 20 8  60 o 3.4520  0.5823 0.9296000      1.165000  
1 1 1 20 8  61 f 3.5670  0.6363 -0.9707000     1.273000  
1 1 1 20 9  0  o 18.240  0.3156 0.000000       0.000000  
1 1 1 20 9  1  o 7.2950  0.3717 -1.959000      0.7435000 
1 1 1 20 9  2  o 10.580  0.3696 -0.7898000E-01 0.7392000 
1 1 1 20 9  3  o 3.6920  0.7956 -1.642000      1.591000  
1 1 1 20 9  4  o 2.9760  0.7086 -0.7419000     1.417000  
1 1 1 20 9  5  f 24.860  0.1876 -0.1995000     0.3751000 
1 1 1 20 9  6  o 13.210  0.2234 -0.7737000     0.4468000 
1 1 1 20 9  7  o 4.7350  0.5449 0.6507000      1.090000  
1 1 1 20 9  8  o 12.490  0.2317 -0.2123000     0.4633000 
1 1 1 20 9  9  o 5.9530  0.4271 -0.7563000     0.8542000 
1 1 1 20 9  10 o 6.4480  0.3962 -1.089000      0.7924000 
1 1 1 20 9  11 o 16.580  0.2187 0.6426000      0.4375000 
1 1 1 20 9  12 o 10.080  0.2783 -0.8027000     0.5565000 
1 1 1 20 9  13 o 15.320  0.2093 0.6912000      0.4185000 
1 1 1 20 9  14 o 12.320  0.2641 -1.096000      0.5282000 
1 1 1 20 9  15 o 15.090  0.1962 0.7926000E-01  0.3924000 
1 1 1 20 9  16 o 9.6840  0.2601 -0.1250000     0.5201000 
1 1 1 20 9  17 o 22.390  0.1745 -0.5065000     0.3491000 
1 1 1 20 9  18 o 11.790  0.2153 -0.1507000     0.4306000 
1 1 1 20 9  19 o 10.850  0.2299 0.2607000      0.4597000 
1 1 1 20 9  20 o 5.9740  0.4171 -0.7579000     0.8343000 
1 1 1 20 9  21 o 3.8230  0.6465 0.9229000E-01  1.293000  
1 1 1 20 9  22 o 17.590  0.2421 0.6739000      0.4842000 
1 1 1 20 9  23 o 16.780  0.3151 -0.1506000     0.6302000 
1 1 1 20 9  24 o 16.450  0.3081 ?              ?         
1 1 1 20 9  25 o 7.0400  0.4004 1.209000       0.8008000 
1 1 1 20 9  26 o 4.7000  0.5912 0.6690000      1.182000  
1 1 1 20 9  27 o 7.1960  0.3828 0.2115000      0.7656000 
1 1 1 20 9  28 o 4.2060  0.5994 -0.6975000     1.199000  
1 1 1 20 9  29 o 2.4730  0.6646 0.7165000      1.329000  
1 1 1 20 9  30 o 14.140  0.2043 0.1502000      0.4086000 
1 1 1 20 9  31 o 9.5320  0.2657 -0.4761000     0.5315000 
1 1 1 20 9  32 o 2.7140  0.6808 -0.2752000     1.362000  
1 1 1 20 9  33 o 15.020  0.1949 0.1899000      0.3898000 
1 1 1 20 9  34 o 7.5380  0.2865 0.1214000      0.5731000 
1 1 1 20 9  35 o 11.910  0.1986 -0.1960000     0.3972000 
1 1 1 20 9  36 o 4.2970  0.5731 1.045000       1.146000  
1 1 1 20 9  37 o 6.7340  0.4228 -0.8823000E-01 0.8456000 
1 1 1 20 9  38 o 8.9430  0.2549 -1.014000      0.5098000 
1 1 1 20 9  39 o 2.6290  0.6096 -0.8419000     1.219000  
1 1 1 20 9  40 o 7.8220  0.2624 0.4277000      0.5247000 
1 1 1 20 9  41 o 15.620  0.1695 -0.1434000     0.3389000 
1 1 1 20 9  42 o 9.8890  0.2169 0.4354000      0.4337000 
1 1 1 20 9  43 o 11.060  0.1982 -0.3751000     0.3964000 
1 1 1 20 9  44 o 6.5870  0.3040 0.5386000      0.6081000 
1 1 1 20 9  45 o 6.9550  0.5565 ?              ?         
1 1 1 20 9  46 o 6.9610  0.3156 0.1039000      0.6312000 
1 1 1 20 9  47 o 6.6880  0.3072 1.067000       0.6144000 
1 1 1 20 9  48 o 8.3700  0.2733 0.8697000      0.5467000 
1 1 1 20 9  49 f 5.7680  0.3775 0.7001000      0.7551000 
1 1 1 20 9  50 o 4.6010  0.4803 2.405000       0.9607000 
1 1 1 20 9  51 o 1.7470  0.5375 -0.2000000     1.075000  
1 1 1 20 9  52 o 9.0450  0.2294 0.3145000      0.4588000 
1 1 1 20 9  53 o 2.6580  0.6237 0.4561000E-01  1.247000  
1 1 1 20 9  54 o 3.4550  0.6812 0.4394000      1.362000  
1 1 1 20 9  55 o 3.9060  0.6538 -0.4503000     1.308000  
1 1 1 20 9  56 o 1.9780  0.6158 -0.4130000     1.232000  
1 1 1 20 9  57 o 2.0790  0.6810 1.170000       1.362000  
1 1 1 20 9  58 o 2.6760  0.7130 -0.6827000     1.426000  
1 1 1 20 9  59 o 3.5000  0.7214 0.8270000E-01  1.443000  
1 1 1 20 9  60 o 2.0610  0.6004 -1.067000      1.201000  
1 1 1 20 9  61 o 3.7530  1.3730 ?              ?         
1 1 1 20 10 0  o 22.190  0.3053 0.000000       0.000000  
1 1 1 20 10 1  o 7.9340  0.4093 0.1146000      0.8186000 
1 1 1 20 10 2  o 22.230  0.2635 0.8704000      0.5270000 
1 1 1 20 10 3  o 14.280  0.3023 1.236000       0.6046000 
1 1 1 20 10 4  o 25.030  0.2499 -0.4206000     0.4999000 
1 1 1 20 10 5  o 16.550  0.2048 -0.1882000     0.4095000 
1 1 1 20 10 6  o 10.370  0.2872 0.5872000E-01  0.5744000 
1 1 1 20 10 7  o 13.450  0.2608 1.042000       0.5216000 
1 1 1 20 10 8  o 14.950  0.1967 0.4034000      0.3934000 
1 1 1 20 10 9  o 26.650  0.1931 -0.8853000     0.3862000 
1 1 1 20 10 10 o 9.5180  0.2694 0.3429000      0.5389000 
1 1 1 20 10 11 o 19.450  0.1786 -0.5508000E-02 0.3573000 
1 1 1 20 10 12 f 5.3770  0.5066 -1.120000      1.013000  
1 1 1 20 10 13 o 8.2330  0.3313 0.6973000      0.6626000 
1 1 1 20 10 14 o 6.9590  0.3927 -0.3109000E-01 0.7855000 
1 1 1 20 10 15 o 22.220  0.1758 0.4925000      0.3516000 
1 1 1 20 10 16 o 8.0380  0.2971 0.4827000      0.5942000 
1 1 1 20 10 17 o 9.6460  0.2529 0.4981000      0.5058000 
1 1 1 20 10 18 o 16.350  0.1930 0.1308000      0.3861000 
1 1 1 20 10 19 o 9.8710  0.2664 -0.1650000     0.5327000 
1 1 1 20 10 20 o 14.460  0.2089 0.7171000      0.4178000 
1 1 1 20 10 21 o 20.380  0.1835 -0.4016000     0.3670000 
1 1 1 20 10 22 o 8.3170  0.3630 -0.5614000E-01 0.7261000 
1 1 1 20 10 23 o 2.1270  0.6754 -1.174000      1.351000  
1 1 1 20 10 24 o 14.390  0.2153 0.1757000      0.4306000 
1 1 1 20 10 25 o 5.7890  0.4885 1.038000       0.9771000 
1 1 1 20 10 26 o 7.1090  0.4314 1.340000       0.8627000 
1 1 1 20 10 27 o 8.6760  0.3187 0.9685000E-01  0.6375000 
1 1 1 20 10 28 o 7.0640  0.3455 0.9959000E-01  0.6911000 
1 1 1 20 10 29 o 11.750  0.2277 -0.5851000     0.4553000 
1 1 1 20 10 30 o 18.730  0.1809 0.8616000E-01  0.3618000 
1 1 1 20 10 31 o 13.190  0.2561 0.3303000      0.5121000 
1 1 1 20 10 32 o 9.9830  0.3087 -0.2322000     0.6174000 
1 1 1 20 10 33 o 6.6760  0.4321 -0.1726000     0.8641000 
1 1 1 20 10 34 o 4.2330  0.5682 -0.2900000     1.136000  
1 1 1 20 10 35 o 4.1220  0.5871 0.6722000      1.174000  
1 1 1 20 10 36 o 6.3810  0.4952 1.056000       0.9904000 
1 1 1 20 10 37 o 12.840  0.1891 -1.005000      0.3783000 
1 1 1 20 10 38 o 4.7470  0.4712 2.312000       0.9424000 
1 1 1 20 10 39 o 7.6550  0.2420 -0.3777000     0.4840000 
1 1 1 20 10 40 f 3.8890  0.4871 2.742000       0.9743000 
1 1 1 20 10 41 o 4.3130  0.3733 -1.622000      0.7465000 
1 1 1 20 10 42 o 2.9480  0.6280 0.6584000      1.256000  
1 1 1 20 10 43 o 9.4990  0.2473 0.1060000E-01  0.4946000 
1 1 1 20 10 44 o 10.330  0.2771 0.4176000      0.5542000 
1 1 1 20 10 45 o 9.7550  0.2874 -0.2200000     0.5749000 
1 1 1 20 10 46 o 5.4130  0.4039 -0.6669000E-01 0.8078000 
1 1 1 20 10 47 o 11.130  0.2880 -0.2478000     0.5759000 
1 1 1 20 10 48 o 2.0260  0.6324 -0.4133000     1.265000  
1 1 1 20 10 49 o 6.6440  0.3628 0.2744000      0.7256000 
1 1 1 20 10 50 f 4.5950  0.5316 -0.7342000     1.063000  
1 1 1 20 10 51 o 2.5570  0.6697 -0.1079000     1.339000  
1 1 1 20 10 52 o 2.3480  0.6758 0.2671000      1.352000  
1 1 1 20 10 53 o 7.7210  0.3874 0.3266000      0.7748000 
1 1 1 20 10 54 o 2.2620  0.6778 0.7651000      1.356000  
1 1 1 20 10 55 o 2.6160  0.7193 0.8217000      1.439000  
1 1 1 20 10 56 o 4.4660  0.5786 -1.410000      1.157000  
1 1 1 20 10 57 o 2.3450  0.6984 -0.6025000     1.397000  
1 1 1 20 10 58 o 3.1610  0.7334 -0.7598000     1.467000  
1 1 1 20 10 59 o 1.9500  0.6199 -0.3037000     1.240000  
1 1 1 20 10 60 o 2.4010  0.6690 0.6778000      1.338000  
1 1 1 20 11 0  o 16.860  0.4113 0.000000       0.000000  
1 1 1 20 11 1  o 2.0760  0.6455 -0.8624000     1.291000  
1 1 1 20 11 2  o 7.9660  0.3584 0.3434000      0.7168000 
1 1 1 20 11 3  o 10.590  0.2878 0.7028000      0.5757000 
1 1 1 20 11 4  o 11.110  0.2849 1.385000       0.5699000 
1 1 1 20 11 5  o 24.350  0.1640 0.3768000      0.3280000 
1 1 1 20 11 6  o 13.970  0.1975 0.4505000      0.3950000 
1 1 1 20 11 7  o 32.910  0.1744 -0.3808000     0.3489000 
1 1 1 20 11 8  o 19.120  0.1705 0.3945000      0.3409000 
1 1 1 20 11 9  o 5.9920  0.3923 0.1897000      0.7847000 
1 1 1 20 11 10 o 12.210  0.2150 0.8017000      0.4299000 
1 1 1 20 11 11 o 6.0800  0.3795 -0.2252000     0.7590000 
1 1 1 20 11 12 o 7.1910  0.3387 0.9803000      0.6775000 
1 1 1 20 11 13 o 8.0160  0.3057 0.3342000      0.6115000 
1 1 1 20 11 14 o 9.3800  0.2767 -0.4720000     0.5533000 
1 1 1 20 11 15 o 13.870  0.2047 -0.2455000     0.4093000 
1 1 1 20 11 16 o 16.070  0.2326 0.2065000      0.4651000 
1 1 1 20 11 17 o 4.0770  0.6170 -0.7765000     1.234000  
1 1 1 20 11 18 o 9.9550  0.2536 -0.7678000     0.5071000 
1 1 1 20 11 19 o 16.720  0.1822 0.1914000      0.3643000 
1 1 1 20 11 20 o 13.550  0.2046 -0.4721000E-01 0.4092000 
1 1 1 20 11 21 o 12.890  0.2042 0.8882000      0.4083000 
1 1 1 20 11 22 o 12.560  0.2428 0.1353000      0.4856000 
1 1 1 20 11 23 o 12.200  0.2245 -0.2121000     0.4490000 
1 1 1 20 11 24 o 9.6570  0.2576 0.9433000E-01  0.5153000 
1 1 1 20 11 25 f 2.9270  0.5664 1.809000       1.133000  
1 1 1 20 11 26 o 2.0630  0.6035 -1.145000      1.207000  
1 1 1 20 11 27 o 13.520  0.1879 -0.7954000     0.3758000 
1 1 1 20 11 28 o 4.8590  0.4736 -1.066000      0.9472000 
1 1 1 20 11 29 o 5.1090  0.4395 -0.4616000     0.8790000 
1 1 1 20 11 30 o 8.8190  0.2630 0.4578000E-01  0.5261000 
1 1 1 20 11 31 o 2.8710  0.5825 1.289000       1.165000  
1 1 1 20 11 32 o 4.4420  0.4701 0.5007000      0.9402000 
1 1 1 20 11 33 o 5.6040  0.4152 0.7117000      0.8305000 
1 1 1 20 11 34 o 2.1330  0.6074 -1.027000      1.215000  
1 1 1 20 11 35 o 6.1360  0.3768 -0.4401000E-01 0.7536000 
1 1 1 20 11 36 o 11.990  0.1886 -1.332000      0.3773000 
1 1 1 20 11 37 o 5.9000  0.3716 -1.608000      0.7431000 
1 1 1 20 11 38 o 7.5090  0.3038 0.1348000      0.6076000 
1 1 1 20 11 39 o 6.1180  0.3492 0.2806000      0.6984000 
1 1 1 20 11 40 o 4.1250  0.5116 0.1101000E-02  1.023000  
1 1 1 20 11 41 o 2.4880  0.6226 0.2449000      1.245000  
1 1 1 20 11 42 o 1.9900  0.5854 -0.6221000     1.171000  
1 1 1 20 11 43 o 2.4000  0.6488 0.3885000      1.298000  
1 1 1 20 11 44 o 6.0220  0.3980 -0.5426000     0.7959000 
1 1 1 20 11 45 f 3.0480  0.6164 -0.5674000     1.233000  
1 1 1 20 11 46 o 5.9970  0.3720 -0.1536000     0.7440000 
1 1 1 20 11 47 o 4.2910  0.5253 -0.9124000     1.051000  
1 1 1 20 11 48 o 5.3920  0.4102 0.9425000      0.8204000 
1 1 1 20 11 49 o 4.4840  0.4819 0.1523000      0.9638000 
1 1 1 20 11 50 o 6.7310  0.3302 0.3119000      0.6603000 
1 1 1 20 11 51 o 4.5580  0.5086 1.982000       1.017000  
1 1 1 20 11 52 o 2.1760  0.6495 0.2793000      1.299000  
1 1 1 20 11 53 o 3.0210  0.7506 -0.5835000     1.501000  
1 1 1 20 11 54 o 3.2950  0.7610 -0.5555000E-01 1.522000  
1 1 1 20 11 55 o 2.3300  0.7011 -0.6283000     1.402000  
1 1 1 20 11 56 o 2.7190  0.6104 2.122000       1.221000  
1 1 1 20 11 57 o 2.3620  0.6835 0.8386000      1.367000  
1 1 1 20 11 58 o 4.7220  0.7358 -1.051000      1.472000  
1 1 1 20 11 59 o 5.8030  0.4948 0.6734000      0.9897000 
1 1 1 20 12 0  o 1.1350  0.8106 0.000000       0.000000  
1 1 1 20 12 1  o 11.630  0.3153 0.6767000      0.6305000 
1 1 1 20 12 2  o 5.0850  0.5545 1.745000       1.109000  
1 1 1 20 12 3  o 2.8980  0.7140 0.3634000      1.428000  
1 1 1 20 12 4  o 10.100  0.3062 0.2752000      0.6124000 
1 1 1 20 12 5  o 6.7240  0.3716 1.041000       0.7431000 
1 1 1 20 12 6  o 1.8180  0.5804 0.2387000      1.161000  
1 1 1 20 12 7  o 3.2710  0.6717 -0.1098000     1.343000  
1 1 1 20 12 8  o 16.230  0.1848 -0.6570000     0.3697000 
1 1 1 20 12 9  o 4.5410  0.5313 -0.5295000     1.063000  
1 1 1 20 12 10 o 12.740  0.2146 0.5324000      0.4291000 
1 1 1 20 12 11 o 19.200  0.1747 -0.4232000     0.3494000 
1 1 1 20 12 12 o 8.9600  0.2823 -0.3307000     0.5646000 
1 1 1 20 12 13 o 8.6690  0.2881 -0.2008000     0.5761000 
1 1 1 20 12 14 o 11.240  0.2326 -0.9054000     0.4651000 
1 1 1 20 12 15 o 8.1480  0.3090 0.6911000      0.6180000 
1 1 1 20 12 16 o 5.6670  0.4387 -0.4948000     0.8774000 
1 1 1 20 12 17 o 19.260  0.1933 -0.3947000     0.3867000 
1 1 1 20 12 18 o 6.1680  0.4183 -0.7231000     0.8366000 
1 1 1 20 12 19 o 14.970  0.1917 -0.2783000     0.3835000 
1 1 1 20 12 20 o 19.510  0.1743 0.3984000      0.3485000 
1 1 1 20 12 21 o 18.840  0.1848 0.9697000      0.3696000 
1 1 1 20 12 22 o 12.390  0.1982 0.3644000      0.3963000 
1 1 1 20 12 23 o 8.5100  0.2861 -0.2052000     0.5722000 
1 1 1 20 12 24 o 17.230  0.1853 0.1812000      0.3705000 
1 1 1 20 12 25 o 7.4050  0.2654 -0.4049000     0.5308000 
1 1 1 20 12 26 o 4.9090  0.4602 0.5097000      0.9203000 
1 1 1 20 12 27 o 12.180  0.2149 0.8106000E-01  0.4298000 
1 1 1 20 12 28 o 5.7530  0.4034 0.6186000      0.8068000 
1 1 1 20 12 29 o 8.8490  0.2652 0.1055000      0.5304000 
1 1 1 20 12 30 o 6.6080  0.3134 -0.1073000     0.6268000 
1 1 1 20 12 31 o 4.3600  0.5366 0.4348000      1.073000  
1 1 1 20 12 32 o 2.8490  0.5541 0.6405000      1.108000  
1 1 1 20 12 33 o 1.9970  0.5981 0.9776000E-01  1.196000  
1 1 1 20 12 34 o 7.9530  0.3614 -0.3921000     0.7227000 
1 1 1 20 12 35 o 2.7290  0.5798 -0.6342000     1.160000  
1 1 1 20 12 36 o 13.140  0.1944 0.2963000      0.3888000 
1 1 1 20 12 37 o 2.4660  0.6273 -0.8126000     1.255000  
1 1 1 20 12 38 o 7.2100  0.2970 -0.4170000     0.5940000 
1 1 1 20 12 39 o 11.550  0.2087 0.4708000      0.4174000 
1 1 1 20 12 40 o 6.6890  0.3166 0.5733000      0.6331000 
1 1 1 20 12 41 o 3.2480  0.5797 -1.206000      1.159000  
1 1 1 20 12 42 o 1.9910  0.5972 0.2338000      1.194000  
1 1 1 20 12 43 o 3.4180  0.6371 -0.1255000E-01 1.274000  
1 1 1 20 12 44 o 3.8960  0.5192 0.4979000      1.038000  
1 1 1 20 12 45 o 4.1410  0.5204 -0.1783000     1.041000  
1 1 1 20 12 46 o 2.6690  0.5907 -2.153000      1.181000  
1 1 1 20 12 47 o 4.8220  0.4223 -0.6983000     0.8447000 
1 1 1 20 12 48 o 1.8350  0.5717 -0.5581000     1.143000  
1 1 1 20 12 49 o 5.7980  0.3871 0.2609000      0.7742000 
1 1 1 20 12 50 o 3.0760  0.6196 0.1985000      1.239000  
1 1 1 20 12 51 o 1.4540  0.4932 -0.2246000     0.9864000 
1 1 1 20 12 52 o 3.3810  0.5630 1.357000       1.126000  
1 1 1 20 12 53 o 3.6540  0.6063 0.4360000      1.213000  
1 1 1 20 12 54 f 6.4840  0.3768 0.5714000      0.7536000 
1 1 1 20 12 55 o 2.6630  0.6249 0.4646000      1.250000  
1 1 1 20 12 56 o 2.2810  0.6680 -0.2378000     1.336000  
1 1 1 20 12 57 o 2.1820  0.5813 -1.591000      1.163000  
1 1 1 20 12 58 o 6.1650  0.3708 1.033000       0.7417000 
1 1 1 20 12 59 o 2.7070  0.7769 -0.3203000     1.554000  
1 1 1 20 13 0  o 11.600  0.4236 0.000000       0.000000  
1 1 1 20 13 1  o 9.9360  0.3884 -0.3365000     0.7768000 
1 1 1 20 13 2  o 13.110  0.3184 0.2910000      0.6368000 
1 1 1 20 13 3  o 18.340  0.2396 -0.4488000     0.4791000 
1 1 1 20 13 4  o 5.1610  0.6293 -0.7164000     1.259000  
1 1 1 20 13 5  o 5.4600  0.6209 1.090000       1.242000  
1 1 1 20 13 6  o 12.200  0.2255 0.2992000      0.4509000 
1 1 1 20 13 7  o 12.400  0.2213 0.2900000      0.4425000 
1 1 1 20 13 8  o 4.7240  0.5328 -0.3714000     1.066000  
1 1 1 20 13 9  o 18.770  0.1790 0.5695000E-01  0.3579000 
1 1 1 20 13 10 o 9.2800  0.2791 -0.7154000     0.5582000 
1 1 1 20 13 11 o 18.780  0.1798 0.6851000E-01  0.3595000 
1 1 1 20 13 12 o 8.4660  0.2987 -0.6872000     0.5973000 
1 1 1 20 13 13 o 11.600  0.2324 -0.2404000     0.4648000 
1 1 1 20 13 14 o 12.170  0.2220 -0.5134000     0.4439000 
1 1 1 20 13 15 o 2.8880  0.6771 -0.6669000     1.354000  
1 1 1 20 13 16 o 6.3520  0.3844 0.5649000      0.7687000 
1 1 1 20 13 17 o 15.190  0.2047 0.2588000      0.4094000 
1 1 1 20 13 18 o 9.4950  0.2651 -0.6420000     0.5302000 
1 1 1 20 13 19 o 12.380  0.2755 -0.6322000     0.5510000 
1 1 1 20 13 20 o 8.9290  0.3025 -0.9330000     0.6051000 
1 1 1 20 13 21 f 7.2620  0.3201 -0.2709000     0.6403000 
1 1 1 20 13 22 o 18.100  0.1776 0.9740000      0.3553000 
1 1 1 20 13 23 o 3.0440  0.6528 -0.1174000     1.306000  
1 1 1 20 13 24 o 1.9760  0.5822 -0.7254000     1.164000  
1 1 1 20 13 25 o 2.4290  0.5604 0.9554000      1.121000  
1 1 1 20 13 26 o 13.200  0.1824 0.4348000      0.3649000 
1 1 1 20 13 27 o 2.4840  0.6051 -0.9485000     1.210000  
1 1 1 20 13 28 o 5.2350  0.4203 -0.4098000     0.8405000 
1 1 1 20 13 29 o 8.1910  0.2744 0.9532000      0.5488000 
1 1 1 20 13 30 o 10.520  0.2396 0.4837000      0.4792000 
1 1 1 20 13 31 o 3.6530  0.5186 2.258000       1.037000  
1 1 1 20 13 32 o 4.2740  0.5097 -0.3902000     1.019000  
1 1 1 20 13 33 o 5.1030  0.5419 0.1244000      1.084000  
1 1 1 20 13 34 o 2.1320  0.6070 -0.5621000     1.214000  
1 1 1 20 13 35 o 7.3990  0.2907 0.4491000      0.5814000 
1 1 1 20 13 36 o 6.6600  0.3154 0.4512000      0.6309000 
1 1 1 20 13 37 o 2.8080  0.5414 1.586000       1.083000  
1 1 1 20 13 38 o 9.2750  0.2343 -0.3560000     0.4686000 
1 1 1 20 13 39 o 3.5610  0.5449 -0.1560000     1.090000  
1 1 1 20 13 40 o 11.060  0.2092 0.2895000      0.4183000 
1 1 1 20 13 41 o 3.9430  0.5725 1.068000       1.145000  
1 1 1 20 13 42 o 3.2080  0.6443 0.4156000      1.289000  
1 1 1 20 13 43 o 7.8770  0.2903 0.9488000      0.5806000 
1 1 1 20 13 44 o 2.0700  0.6174 -0.8142000     1.235000  
1 1 1 20 13 45 f 9.0340  0.2901 0.3910000      0.5802000 
1 1 1 20 13 46 o 4.6170  0.4473 -1.274000      0.8947000 
1 1 1 20 13 47 o 4.7260  0.4447 0.8047000      0.8895000 
1 1 1 20 13 48 o 1.5150  0.4994 -0.2556000     0.9987000 
1 1 1 20 13 49 o 3.6640  0.5343 0.2707000E-01  1.069000  
1 1 1 20 13 50 o 5.9510  0.3398 0.1434000      0.6796000 
1 1 1 20 13 51 o 4.3790  0.4964 1.158000       0.9929000 
1 1 1 20 13 52 o 2.7570  0.6554 -0.4935000     1.311000  
1 1 1 20 13 53 o 5.3630  0.4835 1.808000       0.9670000 
1 1 1 20 13 54 o 7.3150  0.3216 0.9559000      0.6432000 
1 1 1 20 13 55 o 2.1650  0.5146 0.7471000      1.029000  
1 1 1 20 13 56 o 1.7070  0.5294 -0.4238000     1.059000  
1 1 1 20 13 57 o 3.0840  0.5196 1.421000       1.039000  
1 1 1 20 13 58 o 2.0580  0.4608 1.380000       0.9215000 
1 1 1 20 14 0  o 5.6830  0.7094 0.000000       0.000000  
1 1 1 20 14 1  o 5.3790  0.5834 1.312000       1.167000  
1 1 1 20 14 2  o 9.1680  0.4626 -0.5371000     0.9252000 
1 1 1 20 14 3  o 14.980  0.2432 0.2555000      0.4864000 
1 1 1 20 14 4  o 12.100  0.2990 -0.5844000     0.5980000 
1 1 1 20 14 5  o 11.370  0.3084 -1.721000      0.6168000 
1 1 1 20 14 6  o 6.4700  0.4121 0.1236000      0.8242000 
1 1 1 20 14 7  o 13.420  0.2164 0.6137000      0.4328000 
1 1 1 20 14 8  o 8.7490  0.2952 -0.1785000     0.5904000 
1 1 1 20 14 9  o 2.6450  0.6895 0.1283000      1.379000  
1 1 1 20 14 10 o 4.1360  0.6073 -0.6160000     1.215000  
1 1 1 20 14 11 o 10.400  0.2543 -0.1055000     0.5087000 
1 1 1 20 14 12 o 5.7380  0.4409 0.6655000      0.8819000 
1 1 1 20 14 13 o 6.0410  0.4243 0.9005000      0.8487000 
1 1 1 20 14 14 o 3.9300  0.6181 0.4658000      1.236000  
1 1 1 20 14 15 o 4.9510  0.4963 0.4021000      0.9925000 
1 1 1 20 14 16 o 4.0830  0.5867 1.750000       1.173000  
1 1 1 20 14 17 o 8.6720  0.2819 -0.1579000     0.5638000 
1 1 1 20 14 18 o 11.590  0.2354 0.2845000      0.4708000 
1 1 1 20 14 19 o 4.2120  0.6196 -0.1726000     1.239000  
1 1 1 20 14 20 o 10.930  0.2505 -0.6240000E-01 0.5011000 
1 1 1 20 14 21 o 5.9560  0.3981 0.8814000      0.7962000 
1 1 1 20 14 22 o 12.620  0.2024 0.4209000      0.4048000 
1 1 1 20 14 23 o 10.750  0.2073 -0.1925000     0.4147000 
1 1 1 20 14 24 o 4.7780  0.4767 0.9301000      0.9535000 
1 1 1 20 14 25 o 2.6840  0.6327 0.9219000      1.265000  
1 1 1 20 14 26 o 2.7590  0.5904 1.034000       1.181000  
1 1 1 20 14 27 o 8.3070  0.2444 0.1730000      0.4888000 
1 1 1 20 14 28 o 8.0250  0.2405 0.1179000      0.4810000 
1 1 1 20 14 29 o 12.720  0.1897 -0.8741000E-01 0.3793000 
1 1 1 20 14 30 o 7.7760  0.2678 0.5898000E-01  0.5355000 
1 1 1 20 14 31 o 7.3040  0.3986 -0.2951000     0.7972000 
1 1 1 20 14 32 o 3.0530  0.5230 1.112000       1.046000  
1 1 1 20 14 33 o 2.7380  0.6100 0.5600000      1.220000  
1 1 1 20 14 34 o 9.4950  0.2349 -0.6674000     0.4698000 
1 1 1 20 14 35 o 2.5980  0.6108 0.3173000      1.222000  
1 1 1 20 14 36 o 6.7940  0.3207 -1.090000      0.6414000 
1 1 1 20 14 37 o 3.6910  0.5618 1.005000       1.124000  
1 1 1 20 14 38 o 6.2570  0.3325 -0.8484000     0.6651000 
1 1 1 20 14 39 o 3.2750  0.5192 2.171000       1.038000  
1 1 1 20 14 40 o 4.6160  0.5276 -0.6885000     1.055000  
1 1 1 20 14 41 o 2.4630  0.6069 0.3065000      1.214000  
1 1 1 20 14 42 o 1.9680  0.5416 0.3905000      1.083000  
1 1 1 20 14 43 o 3.1250  0.5551 1.076000       1.110000  
1 1 1 20 14 44 o 5.7790  0.3302 0.8358000E-02  0.6603000 
1 1 1 20 14 45 o 4.0980  0.4733 0.7287000      0.9466000 
1 1 1 20 14 46 o 7.4790  0.2612 0.4005000      0.5224000 
1 1 1 20 14 47 o 1.9300  0.5259 0.1611000      1.052000  
1 1 1 20 14 48 o 5.9650  0.3060 -0.1445000E-01 0.6121000 
1 1 1 20 14 49 o 4.1120  0.6016 0.6074000      1.203000  
1 1 1 20 14 50 o 3.4000  0.6106 -2.059000      1.221000  
1 1 1 20 14 51 f 5.6210  0.4538 0.8023000      0.9077000 
1 1 1 20 14 52 o 2.0080  0.6233 0.6780000      1.247000  
1 1 1 20 14 53 o 2.8670  0.7134 0.5925000      1.427000  
1 1 1 20 14 54 o 2.4930  0.7011 0.1711000      1.402000  
1 1 1 20 14 55 o 6.2550  0.4390 -1.057000      0.8780000 
1 1 1 20 14 56 o 2.0490  0.6385 1.182000       1.277000  
1 1 1 20 14 57 o 2.3840  0.6949 0.2388000      1.390000  
1 1 1 20 15 0  f 4.4470  0.9912 0.000000       0.000000  
1 1 1 20 15 1  o 6.4430  0.4428 0.2900000      0.8856000 
1 1 1 20 15 2  o 17.170  0.2275 0.2814000      0.4549000 
1 1 1 20 15 3  o 11.950  0.3723 -0.1574000     0.7446000 
1 1 1 20 15 4  o 12.390  0.2798 -0.3470000     0.5595000 
1 1 1 20 15 5  o 7.5190  0.4820 1.103000       0.9641000 
1 1 1 20 15 6  o 19.110  0.2305 0.5960000      0.4610000 
1 1 1 20 15 7  o 16.070  0.2031 0.3607000      0.4061000 
1 1 1 20 15 8  o 4.1980  0.6340 0.5867000      1.268000  
1 1 1 20 15 9  o 8.2010  0.3212 -1.105000      0.6423000 
1 1 1 20 15 10 o 8.8290  0.2985 0.7648000E-01  0.5970000 
1 1 1 20 15 11 o 4.7170  0.5494 1.098000       1.099000  
1 1 1 20 15 12 o 10.310  0.2525 0.2346000      0.5050000 
1 1 1 20 15 13 o 5.8160  0.4193 0.3332000      0.8386000 
1 1 1 20 15 14 o 2.6050  0.6456 0.9252000      1.291000  
1 1 1 20 15 15 o 5.1200  0.4687 0.1998000      0.9374000 
1 1 1 20 15 16 o 6.4840  0.3507 -1.391000      0.7013000 
1 1 1 20 15 17 o 6.8400  0.3480 -0.9293000     0.6961000 
1 1 1 20 15 18 o 2.9430  0.6902 0.2219000      1.380000  
1 1 1 20 15 19 o 6.8610  0.3672 0.6515000      0.7344000 
1 1 1 20 15 20 o 4.3210  0.5613 -0.2439000     1.123000  
1 1 1 20 15 21 o 4.5320  0.4929 -0.5403000     0.9857000 
1 1 1 20 15 22 o 13.440  0.2167 0.2822000      0.4334000 
1 1 1 20 15 23 o 11.320  0.1988 -0.1932000     0.3976000 
1 1 1 20 15 24 o 11.030  0.2225 0.3707000E-01  0.4450000 
1 1 1 20 15 25 o 2.7840  0.7192 -0.4711000E-01 1.438000  
1 1 1 20 15 26 o 3.3220  0.5908 0.3697000      1.182000  
1 1 1 20 15 27 o 4.5790  0.4666 0.1206000      0.9332000 
1 1 1 20 15 28 o 6.5650  0.3183 0.8217000      0.6367000 
1 1 1 20 15 29 o 3.9570  0.5384 -0.2497000     1.077000  
1 1 1 20 15 30 o 3.9900  0.7178 -0.5036000     1.436000  
1 1 1 20 15 31 o 14.890  0.1843 0.1529000      0.3686000 
1 1 1 20 15 32 o 7.8610  0.2795 0.2498000      0.5589000 
1 1 1 20 15 33 o 6.7170  0.3365 -0.5913000     0.6729000 
1 1 1 20 15 34 o 5.6180  0.3996 0.1333000      0.7992000 
1 1 1 20 15 35 o 13.570  0.1905 0.8645000      0.3810000 
1 1 1 20 15 36 o 11.540  0.2014 -0.5117000E-01 0.4027000 
1 1 1 20 15 37 o 2.0070  0.5735 -0.2531000     1.147000  
1 1 1 20 15 38 o 1.9500  0.5181 0.8044000      1.036000  
1 1 1 20 15 39 o 4.0860  0.5492 0.5855000      1.098000  
1 1 1 20 15 40 o 2.0570  0.5827 -0.7344000E-01 1.165000  
1 1 1 20 15 41 o 2.0640  0.5720 -0.1190000     1.144000  
1 1 1 20 15 42 o 2.1210  0.5916 -0.8113000     1.183000  
1 1 1 20 15 43 o 8.1660  0.2473 0.7067000      0.4946000 
1 1 1 20 15 44 o 1.8940  0.6048 -0.2630000     1.210000  
1 1 1 20 15 45 o 6.0850  0.5517 ?              ?         
1 1 1 20 15 46 o 8.6840  0.3397 1.599000       0.6794000 
1 1 1 20 15 47 o 3.0900  0.6415 1.796000       1.283000  
1 1 1 20 15 48 o 1.9080  0.5995 0.6454000      1.199000  
1 1 1 20 15 49 o 1.8480  0.5904 0.4203000      1.181000  
1 1 1 20 15 50 o 4.4480  0.5759 0.5488000      1.152000  
1 1 1 20 15 51 o 5.3050  0.5278 1.267000       1.056000  
1 1 1 20 15 52 o 3.3320  0.7152 -0.7721000     1.430000  
1 1 1 20 15 53 o 1.8930  0.6130 -0.2033000     1.226000  
1 1 1 20 15 54 o 3.7020  0.6708 0.4790000      1.342000  
1 1 1 20 15 55 o 5.5120  0.5386 0.2043000      1.077000  
1 1 1 20 15 56 o 3.1510  0.7451 -0.2791000E-01 1.490000  
1 1 1 20 16 0  o 1.5710  1.0200 0.000000       0.000000  
1 1 1 20 16 1  o 15.220  0.2160 0.1021000      0.4320000 
1 1 1 20 16 2  f 6.0700  0.4596 -0.5344000     0.9193000 
1 1 1 20 16 3  o 2.4350  0.7124 -0.3066000     1.425000  
1 1 1 20 16 4  o 10.090  0.4116 -0.9799000     0.8233000 
1 1 1 20 16 5  o 7.3330  0.4106 0.6684000      0.8212000 
1 1 1 20 16 6  o 3.7750  0.8101 0.1812000      1.620000  
1 1 1 20 16 7  o 7.6440  0.4187 0.1558000      0.8375000 
1 1 1 20 16 8  o 19.790  0.1809 -0.1922000     0.3618000 
1 1 1 20 16 9  o 7.8750  0.3128 -0.1008000     0.6256000 
1 1 1 20 16 10 o 8.2450  0.3004 1.169000       0.6009000 
1 1 1 20 16 11 o 6.2570  0.3753 -0.3085000     0.7506000 
1 1 1 20 16 12 o 8.5800  0.2813 0.9868000      0.5625000 
1 1 1 20 16 13 o 4.6940  0.4953 0.5730000      0.9907000 
1 1 1 20 16 14 o 8.2860  0.2806 0.9137000      0.5612000 
1 1 1 20 16 15 o 7.2720  0.3215 0.7116000      0.6430000 
1 1 1 20 16 16 o 9.3060  0.2852 0.5407000      0.5704000 
1 1 1 20 16 17 o 9.5930  0.2836 0.5625000      0.5673000 
1 1 1 20 16 18 o 9.1570  0.2601 0.6473000      0.5203000 
1 1 1 20 16 19 o 2.4820  0.6596 -0.4386000     1.319000  
1 1 1 20 16 20 o 3.9130  0.5736 -0.4869000     1.147000  
1 1 1 20 16 21 o 4.5650  0.4466 -0.5317000     0.8932000 
1 1 1 20 16 22 o 6.0330  0.3730 1.336000       0.7461000 
1 1 1 20 16 23 o 10.480  0.2796 0.8325000      0.5592000 
1 1 1 20 16 24 o 15.610  0.1852 0.9348000E-01  0.3704000 
1 1 1 20 16 25 o 10.380  0.2430 -0.4762000     0.4860000 
1 1 1 20 16 26 o 9.2270  0.3292 0.2147000E-01  0.6584000 
1 1 1 20 16 27 o 9.0260  0.2443 -0.3618000     0.4886000 
1 1 1 20 16 28 o 3.7140  0.5319 -1.244000      1.064000  
1 1 1 20 16 29 o 5.2170  0.5361 1.939000       1.072000  
1 1 1 20 16 30 o 2.5090  0.6237 -0.3558000     1.247000  
1 1 1 20 16 31 o 8.1640  0.2787 0.3590000E-01  0.5574000 
1 1 1 20 16 32 o 3.8810  0.4759 -0.2784000     0.9518000 
1 1 1 20 16 33 o 7.6720  0.2848 0.7579000      0.5696000 
1 1 1 20 16 34 o 4.5040  0.4394 -1.189000      0.8787000 
1 1 1 20 16 35 o 3.0350  0.5687 0.7724000      1.137000  
1 1 1 20 16 36 o 3.4090  0.5475 -0.2112000     1.095000  
1 1 1 20 16 37 o 2.3560  0.5490 0.8818000      1.098000  
1 1 1 20 16 38 o 3.9590  0.5361 -1.162000      1.072000  
1 1 1 20 16 39 o 6.3970  0.3633 0.4079000      0.7266000 
1 1 1 20 16 40 o 2.3530  0.6924 -0.5413000E-01 1.385000  
1 1 1 20 16 41 o 2.2970  0.6734 -0.6318000     1.347000  
1 1 1 20 16 42 o 7.9270  0.3804 -0.9688000     0.7608000 
1 1 1 20 16 43 o 4.9630  0.5784 -0.3943000     1.157000  
1 1 1 20 16 44 o 2.3000  0.6725 -0.9887000E-01 1.345000  
1 1 1 20 16 45 o 4.5760  0.6117 -0.4190000     1.223000  
1 1 1 20 16 46 o 2.9000  0.7266 0.1838000      1.453000  
1 1 1 20 16 47 o 7.4990  0.3414 -0.2039000     0.6828000 
1 1 1 20 16 48 o 5.7420  0.4322 0.1488000      0.8643000 
1 1 1 20 16 49 o 5.7050  0.4528 -1.192000      0.9057000 
1 1 1 20 16 50 o 5.3710  0.5178 -0.2800000     1.036000  
1 1 1 20 16 51 o 4.0960  0.6596 -0.8497000     1.319000  
1 1 1 20 16 52 o 2.9620  0.7212 0.5314000      1.442000  
1 1 1 20 16 53 o 6.2060  0.4272 0.1862000      0.8544000 
1 1 1 20 16 54 o 3.6440  0.7306 -0.2797000E-01 1.461000  
1 1 1 20 16 55 o 3.5220  0.7344 1.186000       1.469000  
1 1 1 20 17 0  o 8.4560  0.4528 0.000000       0.000000  
1 1 1 20 17 1  o 14.010  0.2155 -0.4518000     0.4310000 
1 1 1 20 17 2  o 4.2120  0.6193 0.8832000      1.239000  
1 1 1 20 17 3  o 6.2980  0.4072 0.8920000E-01  0.8145000 
1 1 1 20 17 4  o 7.9810  0.3728 -1.206000      0.7455000 
1 1 1 20 17 5  o 16.320  0.2517 -0.8910000E-01 0.5034000 
1 1 1 20 17 6  o 23.130  0.2004 -0.4570000     0.4007000 
1 1 1 20 17 7  o 8.8850  0.3787 -1.296000      0.7574000 
1 1 1 20 17 8  o 8.8060  0.3534 0.5499000      0.7069000 
1 1 1 20 17 9  o 6.4750  0.3769 0.3916000      0.7537000 
1 1 1 20 17 10 o 7.7810  0.3114 0.8446000      0.6228000 
1 1 1 20 17 11 o 11.470  0.2207 -0.8828000E-01 0.4415000 
1 1 1 20 17 12 o 4.3940  0.5314 0.7355000      1.063000  
1 1 1 20 17 13 o 6.1870  0.3626 -0.3599000E-01 0.7253000 
1 1 1 20 17 14 o 11.560  0.2139 0.2297000      0.4278000 
1 1 1 20 17 15 o 10.820  0.2536 -0.3597000     0.5072000 
1 1 1 20 17 16 o 4.6180  0.5339 -0.3042000     1.068000  
1 1 1 20 17 17 o 9.1490  0.2496 -0.1534000     0.4992000 
1 1 1 20 17 18 o 6.7570  0.3298 0.6450000      0.6597000 
1 1 1 20 17 19 o 4.3690  0.5235 1.429000       1.047000  
1 1 1 20 17 20 o 4.6270  0.4440 0.8545000      0.8881000 
1 1 1 20 17 21 f 4.9570  0.3981 0.6654000      0.7962000 
1 1 1 20 17 22 o 7.2380  0.2703 -0.1333000     0.5405000 
1 1 1 20 17 23 o 2.9110  0.6087 -0.1891000E-01 1.217000  
1 1 1 20 17 24 o 2.6340  0.5414 1.566000       1.083000  
1 1 1 20 17 25 o 8.5230  0.2516 0.3093000      0.5032000 
1 1 1 20 17 26 o 2.9230  0.7131 0.4773000      1.426000  
1 1 1 20 17 27 o 4.0870  0.6354 1.327000       1.271000  
1 1 1 20 17 28 o 4.8110  0.4726 0.1800000E-01  0.9452000 
1 1 1 20 17 29 o 2.3110  0.6240 -0.5036000     1.248000  
1 1 1 20 17 30 o 4.8420  0.4726 0.7950000      0.9452000 
1 1 1 20 17 31 o 3.7080  0.4841 1.960000       0.9682000 
1 1 1 20 17 32 o 2.4320  0.6221 -0.6279000     1.244000  
1 1 1 20 17 33 o 5.5640  0.4139 0.8672000      0.8279000 
1 1 1 20 17 34 o 3.4690  0.6008 -0.3155000     1.202000  
1 1 1 20 17 35 o 5.2840  0.3910 0.9069000      0.7820000 
1 1 1 20 17 36 o 2.6020  0.7694 0.1830000      1.539000  
1 1 1 20 17 37 o 6.9390  0.6042 0.5513000      1.208000  
1 1 1 20 17 38 o 5.1490  0.6610 ?              ?         
1 1 1 20 17 39 o 5.7400  0.5006 0.5950000      1.001000  
1 1 1 20 17 40 o 7.4460  0.4009 0.4426000      0.8017000 
1 1 1 20 17 41 o 8.4790  0.3494 0.1912000      0.6987000 
1 1 1 20 17 42 o 3.6330  0.7009 -0.2726000     1.402000  
1 1 1 20 17 43 o 2.3470  0.6721 1.213000       1.344000  
1 1 1 20 17 44 o 3.8420  0.6876 -0.4202000     1.375000  
1 1 1 20 17 45 o 2.0700  0.6461 0.6875000      1.292000  
1 1 1 20 17 46 o 3.0960  0.6651 -0.8913000     1.330000  
1 1 1 20 17 47 o 6.6930  0.3724 0.8470000      0.7447000 
1 1 1 20 17 48 o 2.3420  0.6284 1.462000       1.257000  
1 1 1 20 17 49 o 2.1170  0.6406 0.5861000      1.281000  
1 1 1 20 17 50 o 3.1620  0.6960 -1.533000      1.392000  
1 1 1 20 17 51 o 2.9370  0.7311 -0.3503000     1.462000  
1 1 1 20 17 52 o 2.9220  0.7267 0.5237000      1.453000  
1 1 1 20 17 53 o 2.7760  0.7099 -0.1101000     1.420000  
1 1 1 20 17 54 o 5.6590  0.5320 -0.9915000E-01 1.064000  
1 1 1 20 18 0  o 18.600  0.2357 0.000000       0.000000  
1 1 1 20 18 1  o 11.100  0.2358 -0.3552000     0.4716000 
1 1 1 20 18 2  o 18.030  0.1780 0.3407000      0.3561000 
1 1 1 20 18 3  o 10.0000 0.2516 0.1816000      0.5032000 
1 1 1 20 18 4  o 7.5910  0.3173 0.4720000      0.6346000 
1 1 1 20 18 5  o 8.6900  0.2996 -0.6403000     0.5991000 
1 1 1 20 18 6  o 5.1740  0.5076 -1.514000      1.015000  
1 1 1 20 18 7  o 2.0660  0.6325 -0.2660000     1.265000  
1 1 1 20 18 8  o 6.2210  0.5216 2.002000       1.043000  
1 1 1 20 18 9  o 2.5270  0.6898 0.1513000      1.380000  
1 1 1 20 18 10 o 7.9910  0.2867 -0.2549000E-01 0.5734000 
1 1 1 20 18 11 o 4.5150  0.5158 1.057000       1.032000  
1 1 1 20 18 12 o 12.390  0.1994 0.1764000E-01  0.3988000 
1 1 1 20 18 13 o 4.3190  0.5128 0.4035000      1.026000  
1 1 1 20 18 14 o 2.8640  0.6891 -0.5468000     1.378000  
1 1 1 20 18 15 o 5.6300  0.4729 1.645000       0.9457000 
1 1 1 20 18 16 o 7.2880  0.3177 0.2096000      0.6354000 
1 1 1 20 18 17 f 8.1040  0.2739 -0.1527000     0.5478000 
1 1 1 20 18 18 o 11.920  0.2017 0.1467000      0.4034000 
1 1 1 20 18 19 o 3.4500  0.5511 -0.4812000     1.102000  
1 1 1 20 18 20 o 8.8230  0.2285 0.6283000      0.4570000 
1 1 1 20 18 21 o 9.7040  0.2078 -0.1211000     0.4157000 
1 1 1 20 18 22 o 7.1240  0.2654 -0.3033000     0.5307000 
1 1 1 20 18 23 o 5.5300  0.3316 0.4761000E-01  0.6631000 
1 1 1 20 18 24 o 3.7890  0.4976 -0.8528000     0.9952000 
1 1 1 20 18 25 o 6.5360  0.3490 -0.2827000     0.6981000 
1 1 1 20 18 26 o 2.2300  0.6408 -0.8798000     1.282000  
1 1 1 20 18 27 o 2.8990  0.7709 0.3599000      1.542000  
1 1 1 20 18 28 o 4.8620  0.4034 0.1525000      0.8068000 
1 1 1 20 18 29 o 8.3790  0.2772 -0.2871000     0.5545000 
1 1 1 20 18 30 o 9.0930  0.2697 1.200000       0.5395000 
1 1 1 20 18 31 o 6.9210  0.2745 0.5098000      0.5491000 
1 1 1 20 18 32 o 9.5770  0.2088 -0.1688000     0.4176000 
1 1 1 20 18 33 o 6.5230  0.2830 0.9841000      0.5659000 
1 1 1 20 18 34 o 1.9030  0.5553 0.4411000      1.111000  
1 1 1 20 18 35 o 5.4940  0.6796 2.024000       1.359000  
1 1 1 20 18 36 o 4.3140  0.7836 0.6473000      1.567000  
1 1 1 20 18 37 o 7.2070  0.3930 -0.1655000E-01 0.7859000 
1 1 1 20 18 38 f 4.9820  0.5908 -0.2784000     1.182000  
1 1 1 20 18 39 o 5.1340  0.5629 -0.3661000     1.126000  
1 1 1 20 18 40 o 2.0130  0.6346 0.6549000      1.269000  
1 1 1 20 18 41 o 11.020  0.2874 0.3535000      0.5749000 
1 1 1 20 18 42 o 3.0820  0.7266 1.167000       1.453000  
1 1 1 20 18 43 o 4.9390  0.5965 -1.145000      1.193000  
1 1 1 20 18 44 o 3.5950  0.7133 0.2846000      1.427000  
1 1 1 20 18 45 o 8.0170  0.3786 -0.4601000     0.7571000 
1 1 1 20 18 46 o 2.5150  0.6321 -1.316000      1.264000  
1 1 1 20 18 47 o 3.0610  0.6779 -0.7894000     1.356000  
1 1 1 20 18 48 o 2.5130  0.6891 -0.8622000     1.378000  
1 1 1 20 18 49 o 2.5610  0.7002 0.5967000      1.400000  
1 1 1 20 18 50 o 2.2820  0.6823 -0.1162000     1.365000  
1 1 1 20 18 51 o 2.6150  0.7099 -0.9595000     1.420000  
1 1 1 20 18 52 o 2.9690  0.7101 0.7192000      1.420000  
1 1 1 20 18 53 o 3.3300  0.8272 0.3583000      1.654000  
1 1 1 20 19 0  o 11.430  0.2929 0.000000       0.000000  
1 1 1 20 19 1  o 10.690  0.2426 -1.259000      0.4852000 
1 1 1 20 19 2  o 9.0980  0.2475 -0.5442000     0.4950000 
1 1 1 20 19 3  o 9.2570  0.2420 -0.8875000     0.4840000 
1 1 1 20 19 4  o 8.7960  0.2508 0.3150000      0.5016000 
1 1 1 20 19 5  o 8.4420  0.2630 0.3918000      0.5260000 
1 1 1 20 19 6  o 8.4050  0.2994 -0.6202000     0.5987000 
1 1 1 20 19 7  o 8.6360  0.2892 -0.9959000     0.5784000 
1 1 1 20 19 8  o 2.4880  0.6024 -1.325000      1.205000  
1 1 1 20 19 9  o 3.1610  0.6903 0.4642000      1.381000  
1 1 1 20 19 10 o 7.1630  0.3324 0.2634000      0.6648000 
1 1 1 20 19 11 o 5.1650  0.4249 -0.2679000     0.8498000 
1 1 1 20 19 12 o 6.8170  0.3798 -0.1150000     0.7596000 
1 1 1 20 19 13 o 10.920  0.2501 -0.1709000     0.5001000 
1 1 1 20 19 14 o 2.9380  0.6512 -0.4150000     1.302000  
1 1 1 20 19 15 o 8.4580  0.2864 0.5060000E-01  0.5727000 
1 1 1 20 19 16 o 7.5750  0.2934 -0.6010000     0.5868000 
1 1 1 20 19 17 o 2.8520  0.6120 -0.2289000     1.224000  
1 1 1 20 19 18 o 8.6540  0.2352 -0.3020000     0.4705000 
1 1 1 20 19 19 o 6.8800  0.2916 -0.7383000     0.5832000 
1 1 1 20 19 20 o 3.1010  0.5732 0.2659000      1.146000  
1 1 1 20 19 21 o 6.9360  0.2708 -0.4135000     0.5416000 
1 1 1 20 19 22 o 2.8460  0.5813 0.4892000      1.163000  
1 1 1 20 19 23 o 1.9790  0.5814 -0.1354000     1.163000  
1 1 1 20 19 24 o 12.230  0.1919 -0.5846000     0.3838000 
1 1 1 20 19 25 o 7.0280  0.4004 -1.150000      0.8008000 
1 1 1 20 19 26 o 4.5080  0.4498 0.6158000      0.8995000 
1 1 1 20 19 27 o 5.1100  0.4383 -1.072000      0.8767000 
1 1 1 20 19 28 o 1.7890  0.5608 -0.3116000     1.122000  
1 1 1 20 19 29 o 2.9270  0.7588 0.3840000      1.518000  
1 1 1 20 19 30 o 8.0160  0.3096 0.4225000      0.6191000 
1 1 1 20 19 31 o 7.7530  0.2514 0.1110000      0.5028000 
1 1 1 20 19 32 o 3.1820  0.5485 -0.1578000     1.097000  
1 1 1 20 19 33 o 2.4210  0.5662 -1.071000      1.132000  
1 1 1 20 19 34 o 2.1520  0.5778 -0.9534000     1.156000  
1 1 1 20 19 35 o 1.9690  0.6258 -0.5107000     1.252000  
1 1 1 20 19 36 o 4.7760  0.6778 1.012000       1.356000  
1 1 1 20 19 37 o 4.2860  0.7216 -0.7663000     1.443000  
1 1 1 20 19 38 o 4.1520  0.6349 -2.074000      1.270000  
1 1 1 20 19 39 o 6.8580  0.3992 0.7437000      0.7984000 
1 1 1 20 19 40 o 1.7930  0.5888 -0.3824000     1.178000  
1 1 1 20 19 41 o 2.6190  0.7041 0.6163000      1.408000  
1 1 1 20 19 42 o 4.4120  0.5870 -0.7244000     1.174000  
1 1 1 20 19 43 o 2.4540  0.6798 0.1459000      1.360000  
1 1 1 20 19 44 o 1.8360  0.5747 -0.7968000     1.149000  
1 1 1 20 19 45 o 2.1130  0.6350 -0.3502000     1.270000  
1 1 1 20 19 46 o 7.9640  0.3171 0.3103000      0.6342000 
1 1 1 20 19 47 o 2.3410  0.6761 -0.3634000E-01 1.352000  
1 1 1 20 19 48 o 5.8870  0.4757 1.093000       0.9515000 
1 1 1 20 19 49 o 2.7100  0.6975 -1.372000      1.395000  
1 1 1 20 19 50 o 3.5420  0.6677 -2.188000      1.335000  
1 1 1 20 19 51 o 2.4330  0.7155 -0.4853000     1.431000  
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1 1 1 20 20 1  o 6.9390  0.4374 0.000000       0.000000  
1 1 1 20 20 2  o 4.7040  0.6466 0.000000       0.000000  
1 1 1 20 20 3  o 2.1420  1.0730 0.000000       0.000000  
1 1 1 20 20 4  o 1.9520  1.0490 0.000000       0.000000  
1 1 1 20 20 5  o 1.7630  1.0090 0.000000       0.000000  
1 1 1 20 20 6  o 5.9420  0.4977 0.000000       0.000000  
1 1 1 20 20 7  o 2.2030  1.1350 0.000000       0.000000  
1 1 1 20 20 8  o 6.4390  0.5213 0.000000       0.000000  
1 1 1 20 20 9  o 5.4450  0.5434 0.000000       0.000000  
1 1 1 20 20 10 o 15.770  0.2891 0.000000       0.000000  
1 1 1 20 20 11 o 3.1580  1.3240 0.000000       0.000000  
1 1 1 20 20 12 o 1.5530  0.9726 0.000000       0.000000  
1 1 1 20 20 13 o 13.110  0.2590 0.000000       0.000000  
1 1 1 20 20 14 o 7.4610  0.3930 0.000000       0.000000  
1 1 1 20 20 15 o 0.8821  0.6329 0.000000       0.000000  
1 1 1 20 20 16 o 6.6470  0.3902 0.000000       0.000000  
1 1 1 20 20 17 o 5.2440  0.4968 0.000000       0.000000  
1 1 1 20 20 18 o 11.290  0.2921 0.000000       0.000000  
1 1 1 20 20 19 o 4.2850  0.7219 0.000000       0.000000  
1 1 1 20 20 20 o 11.510  0.3058 0.000000       0.000000  
1 1 1 20 20 21 o 15.010  0.2683 0.000000       0.000000  
1 1 1 20 20 22 o 0.9665  0.6845 0.000000       0.000000  
1 1 1 20 20 23 o 6.1970  0.4814 0.000000       0.000000  
1 1 1 20 20 24 o 7.0470  0.5657 0.000000       0.000000  
1 1 1 20 20 25 o 7.6840  0.3753 0.000000       0.000000  
1 1 1 20 20 26 o 3.0280  0.9883 0.000000       0.000000  
1 1 1 20 20 27 o 2.2280  1.0430 0.000000       0.000000  
1 1 1 20 20 28 o 2.7540  1.1030 0.000000       0.000000  
1 1 1 20 20 29 o 9.3830  0.3161 0.000000       0.000000  
1 1 1 20 20 30 o 5.4180  0.9268 0.000000       0.000000  
1 1 1 20 20 31 o 8.1630  0.4916 0.000000       0.000000  
1 1 1 20 20 32 o 2.7960  1.0490 0.000000       0.000000  
1 1 1 20 20 33 o 7.3450  0.3926 0.000000       0.000000  
1 1 1 20 20 34 f 10.150  0.2903 0.000000       0.000000  
1 1 1 20 20 35 o 5.6010  0.4718 0.000000       0.000000  
1 1 1 20 20 36 o 5.6600  0.8349 0.000000       0.000000  
1 1 1 20 20 37 o 2.6880  1.2230 0.000000       0.000000  
1 1 1 20 20 38 o 1.5800  1.0170 0.000000       0.000000  
1 1 1 20 20 39 o 8.2130  0.5080 0.000000       0.000000  
1 1 1 20 20 40 o 1.4160  0.9459 0.000000       0.000000  
1 1 1 20 20 41 o 1.6350  1.0360 0.000000       0.000000  
1 1 1 20 20 42 o 2.0800  1.1720 0.000000       0.000000  
1 1 1 20 20 43 o 4.3680  0.9992 0.000000       0.000000  
1 1 1 20 20 44 o 2.8910  1.2680 0.000000       0.000000  
1 1 1 20 20 45 f 1.6170  1.0410 0.000000       0.000000  
1 1 1 20 20 46 o 1.4990  0.9906 0.000000       0.000000  
1 1 1 20 20 47 o 5.4290  0.8031 0.000000       0.000000  
1 1 1 20 20 48 o 4.7180  0.9731 0.000000       0.000000  
1 1 1 20 20 49 o 0.9722  0.7001 0.000000       0.000000  
1 1 1 20 20 50 o 5.7620  0.7411 0.000000       0.000000  
1 1 1 21 0  1  o 0.9916  0.7031 0.000000       0.000000  
1 1 1 21 0  2  o 11.090  0.3404 0.000000       0.000000  
1 1 1 21 0  3  o 2.1020  1.0650 0.000000       0.000000  
1 1 1 21 0  4  o 8.1470  0.3709 0.000000       0.000000  
1 1 1 21 0  5  o 5.3370  0.6413 0.000000       0.000000  
1 1 1 21 0  6  o 14.330  0.2481 0.000000       0.000000  
1 1 1 21 0  7  o 13.900  0.3060 0.000000       0.000000  
1 1 1 21 0  8  o 13.580  0.3798 0.000000       0.000000  
1 1 1 21 0  9  o 17.540  0.3306 0.000000       0.000000  
1 1 1 21 0  10 o 6.6600  0.6602 0.000000       0.000000  
1 1 1 21 0  11 o 14.150  0.3620 0.000000       0.000000  
1 1 1 21 0  13 f 8.5830  0.5215 0.000000       0.000000  
1 1 1 21 0  14 o 12.410  0.3923 0.000000       0.000000  
1 1 1 21 0  15 o 6.3640  0.5744 0.000000       0.000000  
1 1 1 21 0  16 o 19.230  0.2628 0.000000       0.000000  
1 1 1 21 0  17 o 9.8060  0.3902 0.000000       0.000000  
1 1 1 21 0  18 o 10.680  0.3671 0.000000       0.000000  
1 1 1 21 0  19 o 33.080  0.2686 0.000000       0.000000  
1 1 1 21 0  20 o 1.4990  0.9714 0.000000       0.000000  
1 1 1 21 0  21 o 11.490  0.3445 0.000000       0.000000  
1 1 1 21 0  22 o 21.100  0.3213 0.000000       0.000000  
1 1 1 21 0  23 o 6.3830  1.2110 0.000000       0.000000  
1 1 1 21 0  24 o 2.5770  1.5230 0.000000       0.000000  
1 1 1 21 0  25 o 13.180  0.6092 0.000000       0.000000  
1 1 1 21 0  26 o 3.5700  1.3540 0.000000       0.000000  
1 1 1 21 0  27 o 6.2800  1.0160 0.000000       0.000000  
1 1 1 21 0  28 o 6.3520  1.0450 0.000000       0.000000  
1 1 1 21 0  29 o 5.2680  1.0090 0.000000       0.000000  
1 1 1 21 0  30 f 17.170  0.3560 0.000000       0.000000  
1 1 1 21 0  31 o 2.9510  1.2340 0.000000       0.000000  
1 1 1 21 0  32 o 7.5990  0.5039 0.000000       0.000000  
1 1 1 21 0  33 o 4.7500  0.8531 0.000000       0.000000  
1 1 1 21 0  34 o 7.7360  0.4987 0.000000       0.000000  
1 1 1 21 0  35 o 11.800  0.3544 0.000000       0.000000  
1 1 1 21 0  36 o 12.500  0.3329 0.000000       0.000000  
1 1 1 21 0  37 o 2.6790  1.1980 0.000000       0.000000  
1 1 1 21 0  38 o 1.2260  0.8432 0.000000       0.000000  
1 1 1 21 0  39 o 1.5600  0.9861 0.000000       0.000000  
1 1 1 21 0  40 o 3.0400  1.1600 0.000000       0.000000  
1 1 1 21 0  41 o 11.870  0.3321 0.000000       0.000000  
1 1 1 21 0  42 o 1.8450  1.0760 0.000000       0.000000  
1 1 1 21 0  43 o 4.1110  0.9123 0.000000       0.000000  
1 1 1 21 0  44 o 4.2450  0.8788 0.000000       0.000000  
1 1 1 21 0  45 o 6.9950  0.5060 0.000000       0.000000  
1 1 1 21 0  46 f 1.6780  1.0780 0.000000       0.000000  
1 1 1 21 0  47 o 0.8263  0.6055 0.000000       0.000000  
1 1 1 21 0  48 o 1.4430  0.9357 0.000000       0.000000  
1 1 1 21 0  49 o 1.6040  1.0430 0.000000       0.000000  
1 1 1 21 0  50 o 1.5040  0.9953 0.000000       0.000000  
1 1 1 21 0  51 f 5.1620  0.8539 0.000000       0.000000  
1 1 1 21 0  52 o 8.7920  0.4481 0.000000       0.000000  
1 1 1 21 0  54 o 6.8940  0.4960 0.000000       0.000000  
1 1 1 21 0  55 o 7.1020  0.4736 0.000000       0.000000  
1 1 1 21 0  56 o 1.0940  0.7647 0.000000       0.000000  
1 1 1 21 0  57 o 1.5710  0.9808 0.000000       0.000000  
1 1 1 21 0  58 o 7.2210  0.4878 0.000000       0.000000  
1 1 1 21 0  59 o 1.1780  0.8160 0.000000       0.000000  
1 1 1 21 0  60 o 4.4920  0.8688 0.000000       0.000000  
1 1 1 21 0  61 o 2.1710  1.1530 0.000000       0.000000  
1 1 1 21 0  62 o 0.9004  0.6570 0.000000       0.000000  
1 1 1 21 1  0  o 11.070  0.3516 0.000000       0.000000  
1 1 1 21 1  1  f 8.0660  0.2952 0.7053000      0.5903000 
1 1 1 21 1  2  o 18.360  0.1737 0.3463000      0.3473000 
1 1 1 21 1  3  o 4.6640  0.4870 0.4656000      0.9740000 
1 1 1 21 1  4  o 9.7420  0.2314 -0.4525000     0.4627000 
1 1 1 21 1  5  o 23.980  0.1654 -0.5731000     0.3308000 
1 1 1 21 1  6  o 10.590  0.2679 -0.6694000     0.5358000 
1 1 1 21 1  7  o 12.700  0.2323 0.2932000      0.4646000 
1 1 1 21 1  8  o 7.9240  0.3459 -1.041000      0.6918000 
1 1 1 21 1  9  o 15.460  0.2238 -0.7463000E-01 0.4476000 
1 1 1 21 1  10 o 24.170  0.2006 0.2720000      0.4012000 
1 1 1 21 1  11 o 17.540  0.2089 0.3167000      0.4178000 
1 1 1 21 1  12 o 9.7480  0.2967 -0.3669000     0.5934000 
1 1 1 21 1  13 o 20.150  0.2014 0.5267000      0.4028000 
1 1 1 21 1  14 o 12.300  0.2523 0.4454000      0.5046000 
1 1 1 21 1  15 o 10.030  0.2920 -0.5263000E-01 0.5841000 
1 1 1 21 1  16 o 10.460  0.2823 -0.9505000     0.5645000 
1 1 1 21 1  17 o 12.960  0.2483 -0.2836000E-01 0.4966000 
1 1 1 21 1  18 o 3.1810  0.7123 -1.487000      1.425000  
1 1 1 21 1  19 o 3.2410  0.7141 0.8165000      1.428000  
1 1 1 21 1  20 o 6.5080  0.4435 0.2271000      0.8869000 
1 1 1 21 1  21 o 11.480  0.2742 -0.1230000     0.5484000 
1 1 1 21 1  22 o 5.7130  0.5222 0.2621000      1.044000  
1 1 1 21 1  23 o 12.150  0.3766 -0.2162000     0.7533000 
1 1 1 21 1  24 o 16.790  0.3661 0.1633000      0.7323000 
1 1 1 21 1  25 o 4.6620  0.9547 0.8034000      1.909000  
1 1 1 21 1  26 o 11.030  0.3293 1.068000       0.6587000 
1 1 1 21 1  27 o 12.060  0.4007 0.3150000      0.8014000 
1 1 1 21 1  28 o 4.0570  0.8459 -2.156000      1.692000  
1 1 1 21 1  29 o 5.0200  0.6796 -0.1039000     1.359000  
1 1 1 21 1  30 o 6.8950  0.4876 0.7271000E-01  0.9752000 
1 1 1 21 1  31 o 18.200  0.2231 -0.1356000     0.4463000 
1 1 1 21 1  32 o 8.1210  0.3383 -0.8931000     0.6766000 
1 1 1 21 1  33 o 6.2930  0.4229 0.1938000      0.8459000 
1 1 1 21 1  34 o 3.5290  0.6277 -2.387000      1.255000  
1 1 1 21 1  35 o 6.3670  0.4117 0.1917000      0.8235000 
1 1 1 21 1  36 o 6.9360  0.3762 -0.5689000     0.7525000 
1 1 1 21 1  37 o 12.880  0.2267 0.3246000      0.4534000 
1 1 1 21 1  38 o 10.930  0.2510 -0.3161000E-01 0.5021000 
1 1 1 21 1  39 o 4.4450  0.5706 -1.855000      1.141000  
1 1 1 21 1  40 o 3.3460  0.6608 -1.023000      1.322000  
1 1 1 21 1  41 o 4.3100  0.5781 0.3892000      1.156000  
1 1 1 21 1  42 o 3.3670  0.6699 -0.4177000     1.340000  
1 1 1 21 1  43 o 6.0310  0.4099 1.088000       0.8197000 
1 1 1 21 1  44 o 1.9180  0.6005 0.2522000      1.201000  
1 1 1 21 1  45 o 8.1920  0.3466 0.6724000      0.6932000 
1 1 1 21 1  46 o 8.0440  0.3140 -0.8550000     0.6281000 
1 1 1 21 1  47 o 5.6650  0.4831 -0.5780000     0.9662000 
1 1 1 21 1  48 o 2.2850  0.6473 -0.5382000     1.295000  
1 1 1 21 1  49 o 7.2870  0.5689 ?              ?         
1 1 1 21 1  50 o 1.9440  0.6314 -0.1110000     1.263000  
1 1 1 21 1  51 o 8.0010  0.4086 2.461000       0.8172000 
1 1 1 21 1  52 o 2.6640  0.7099 -0.9376000     1.420000  
1 1 1 21 1  53 f 3.3740  1.0030 ?              ?         
1 1 1 21 1  54 o 7.2010  0.3917 1.840000       0.7835000 
1 1 1 21 1  55 o 5.4910  0.4260 -0.1900000E-01 0.8520000 
1 1 1 21 1  56 o 2.5690  0.6632 -0.1842000     1.326000  
1 1 1 21 1  57 o 1.9350  0.5981 0.4138000      1.196000  
1 1 1 21 1  58 o 3.3160  0.6497 1.785000       1.299000  
1 1 1 21 1  59 o 2.1730  0.6529 0.3779000      1.306000  
1 1 1 21 1  60 f 4.5550  0.6394 -1.372000      1.279000  
1 1 1 21 1  61 o 4.3920  0.6226 -1.035000      1.245000  
1 1 1 21 1  62 f 3.6190  0.6181 0.9271000      1.236000  
1 1 1 21 2  0  o 2.3290  1.0950 0.000000       0.000000  
1 1 1 21 2  1  o 20.640  0.1686 -0.1886000     0.3371000 
1 1 1 21 2  2  o 19.340  0.1578 -0.3928000E-01 0.3156000 
1 1 1 21 2  3  o 25.140  0.1856 -0.3606000     0.3713000 
1 1 1 21 2  4  o 11.780  0.2492 -0.6003000     0.4984000 
1 1 1 21 2  5  o 8.3220  0.3216 0.3953000      0.6431000 
1 1 1 21 2  6  o 10.300  0.2715 -0.1275000     0.5429000 
1 1 1 21 2  7  o 8.2020  0.3471 0.3400000      0.6942000 
1 1 1 21 2  8  o 19.230  0.1708 -0.5413000     0.3415000 
1 1 1 21 2  9  o 2.6270  0.6187 -1.287000      1.237000  
1 1 1 21 2  10 o 25.080  0.1761 -0.5422000     0.3522000 
1 1 1 21 2  11 o 19.030  0.1826 -0.2831000     0.3652000 
1 1 1 21 2  12 f 15.240  0.1995 -0.5944000E-01 0.3991000 
1 1 1 21 2  13 o 20.930  0.1806 -0.3257000E-01 0.3611000 
1 1 1 21 2  14 o 14.480  0.2065 -0.4301000     0.4130000 
1 1 1 21 2  15 o 16.650  0.1926 0.4837000      0.3851000 
1 1 1 21 2  16 o 16.740  0.1926 0.1145000      0.3852000 
1 1 1 21 2  17 o 15.150  0.2288 0.3414000      0.4576000 
1 1 1 21 2  18 o 2.4830  0.6899 0.6430000      1.380000  
1 1 1 21 2  19 o 2.9920  0.7457 -0.5826000     1.491000  
1 1 1 21 2  20 o 26.190  0.2036 -0.1501000     0.4072000 
1 1 1 21 2  21 o 6.9210  0.4598 2.212000       0.9195000 
1 1 1 21 2  22 o 4.8940  0.6117 -0.8183000     1.223000  
1 1 1 21 2  23 o 22.730  0.2836 -0.4650000     0.5672000 
1 1 1 21 2  24 o 5.7070  0.7358 -0.4253000     1.472000  
1 1 1 21 2  25 o 4.0490  0.7614 -1.554000      1.523000  
1 1 1 21 2  26 o 15.450  0.2486 -0.2038000     0.4971000 
1 1 1 21 2  27 f 7.9390  0.6290 3.490000       1.258000  
1 1 1 21 2  28 o 9.2840  0.4914 0.2798000      0.9828000 
1 1 1 21 2  29 o 4.0250  0.7738 -0.6081000     1.548000  
1 1 1 21 2  30 o 3.9070  0.7248 0.2895000      1.450000  
1 1 1 21 2  31 o 11.400  0.2965 -0.4966000     0.5931000 
1 1 1 21 2  32 o 10.920  0.2650 -0.8243000     0.5301000 
1 1 1 21 2  33 o 10.310  0.2753 -0.9828000     0.5506000 
1 1 1 21 2  34 o 4.4760  0.5979 0.1122000      1.196000  
1 1 1 21 2  35 o 8.2310  0.3294 -0.7347000     0.6588000 
1 1 1 21 2  36 o 8.6310  0.3115 -0.5087000     0.6230000 
1 1 1 21 2  37 o 9.6210  0.2840 1.466000       0.5681000 
1 1 1 21 2  38 o 6.4990  0.3928 -0.4798000     0.7857000 
1 1 1 21 2  39 o 3.2580  0.6860 -0.5261000     1.372000  
1 1 1 21 2  40 o 2.6750  0.6633 1.036000       1.327000  
1 1 1 21 2  41 o 14.910  0.2086 -0.3435000     0.4173000 
1 1 1 21 2  42 o 11.620  0.2419 -0.4505000     0.4839000 
1 1 1 21 2  43 f 8.9760  0.2915 -0.3102000     0.5831000 
1 1 1 21 2  44 o 2.4090  0.6937 0.2365000      1.387000  
1 1 1 21 2  45 o 3.9600  0.6074 -0.2081000     1.215000  
1 1 1 21 2  46 o 5.5710  0.4428 0.9379000      0.8857000 
1 1 1 21 2  47 o 4.4180  0.5690 1.329000       1.138000  
1 1 1 21 2  48 o 3.9330  0.8590 -0.9755000     1.718000  
1 1 1 21 2  49 o 1.8400  0.6058 0.9622000      1.212000  
1 1 1 21 2  50 o 5.3380  0.5267 0.4064000      1.053000  
1 1 1 21 2  51 o 6.9160  0.5639 2.232000       1.128000  
1 1 1 21 2  52 o 6.4560  0.4899 ?              ?         
1 1 1 21 2  53 o 4.2570  0.6978 2.287000       1.396000  
1 1 1 21 2  54 o 2.0410  0.6383 0.3405000      1.277000  
1 1 1 21 2  55 o 5.3090  0.6165 -0.3151000     1.233000  
1 1 1 21 2  56 o 4.7870  0.5874 0.2935000      1.175000  
1 1 1 21 2  57 o 1.8290  0.5818 0.2940000      1.164000  
1 1 1 21 2  58 o 2.9730  0.6642 0.6907000      1.328000  
1 1 1 21 2  59 o 2.4380  0.6685 -0.2670000     1.337000  
1 1 1 21 2  60 o 6.2970  0.3435 -0.1516000     0.6870000 
1 1 1 21 2  61 o 3.5820  0.5973 -0.9770000E-01 1.195000  
1 1 1 21 2  62 o 4.6390  0.4932 0.5321000      0.9864000 
1 1 1 21 3  0  o 12.230  0.2747 0.000000       0.000000  
1 1 1 21 3  1  o 18.900  0.1570 -0.3454000E-01 0.3141000 
1 1 1 21 3  2  o 18.190  0.1741 0.6836000E-01  0.3481000 
1 1 1 21 3  3  o 18.260  0.2595 -0.4428000     0.5191000 
1 1 1 21 3  4  o 15.480  0.2203 -0.4690000E-01 0.4407000 
1 1 1 21 3  5  o 17.980  0.2258 -0.6733000E-01 0.4515000 
1 1 1 21 3  6  o 16.970  0.2025 0.1807000      0.4050000 
1 1 1 21 3  7  o 26.740  0.1656 -0.5006000E-01 0.3312000 
1 1 1 21 3  8  o 4.1540  0.6002 1.407000       1.200000  
1 1 1 21 3  9  o 2.9370  0.6597 -2.199000      1.319000  
1 1 1 21 3  10 o 9.5680  0.2699 -0.3915000     0.5397000 
1 1 1 21 3  11 o 6.2940  0.3929 0.6617000      0.7858000 
1 1 1 21 3  12 o 2.2390  0.6441 0.4465000      1.288000  
1 1 1 21 3  13 o 2.3920  0.6358 1.076000       1.272000  
1 1 1 21 3  14 o 8.5710  0.2983 -0.3392000     0.5967000 
1 1 1 21 3  15 o 15.560  0.2249 0.3122000      0.4499000 
1 1 1 21 3  16 o 9.4470  0.3128 -0.3156000     0.6256000 
1 1 1 21 3  17 o 17.220  0.2161 0.4393000      0.4323000 
1 1 1 21 3  18 o 12.200  0.2668 0.2847000      0.5337000 
1 1 1 21 3  19 o 23.330  0.2035 -0.3018000     0.4070000 
1 1 1 21 3  20 o 18.200  0.2162 0.2119000      0.4325000 
1 1 1 21 3  21 o 3.7760  0.6853 1.589000       1.371000  
1 1 1 21 3  22 o 16.820  0.2954 0.1250000      0.5907000 
1 1 1 21 3  23 o 18.050  0.3040 0.4029000      0.6081000 
1 1 1 21 3  24 o 5.3020  0.7941 1.631000       1.588000  
1 1 1 21 3  25 o 2.5470  0.7299 -0.9328000     1.460000  
1 1 1 21 3  26 o 14.300  0.3239 0.2495000      0.6478000 
1 1 1 21 3  27 o 20.090  0.2826 -0.2717000     0.5651000 
1 1 1 21 3  28 o 8.2120  0.4817 -0.4318000     0.9633000 
1 1 1 21 3  29 o 6.6200  0.5212 1.542000       1.042000  
1 1 1 21 3  30 o 6.0050  0.4977 -0.7285000E-01 0.9955000 
1 1 1 21 3  31 o 11.300  0.2894 -0.1400000     0.5788000 
1 1 1 21 3  32 o 6.7290  0.4525 1.296000       0.9050000 
1 1 1 21 3  33 o 6.9110  0.3897 -0.2726000     0.7794000 
1 1 1 21 3  34 o 5.5580  0.4799 -1.004000      0.9598000 
1 1 1 21 3  35 o 3.5600  0.6609 1.445000       1.322000  
1 1 1 21 3  36 o 11.150  0.2552 0.1912000      0.5104000 
1 1 1 21 3  37 o 4.4910  0.5632 -0.5791000     1.126000  
1 1 1 21 3  38 o 4.2380  0.5889 -1.166000      1.178000  
1 1 1 21 3  39 o 3.9100  0.6295 0.6991000      1.259000  
1 1 1 21 3  40 o 6.7390  0.3751 0.4829000      0.7503000 
1 1 1 21 3  41 o 8.1330  0.3171 0.2988000      0.6342000 
1 1 1 21 3  42 o 3.7260  0.6445 0.5518000      1.289000  
1 1 1 21 3  43 o 4.9850  0.5858 -1.108000      1.172000  
1 1 1 21 3  44 o 3.5230  0.6409 0.9728000      1.282000  
1 1 1 21 3  45 o 7.2140  0.3432 0.1879000      0.6864000 
1 1 1 21 3  46 o 8.8960  0.3312 0.1362000      0.6624000 
1 1 1 21 3  47 o 3.1840  0.6041 2.203000       1.208000  
1 1 1 21 3  48 o 7.3620  0.4356 -0.5883000     0.8713000 
1 1 1 21 3  49 o 9.1510  0.3378 -0.2021000E-01 0.6757000 
1 1 1 21 3  50 o 3.0300  0.8876 ?              ?         
1 1 1 21 3  51 o 5.8950  0.5101 ?              ?         
1 1 1 21 3  52 o 4.8930  0.4910 -0.6114000     0.9821000 
1 1 1 21 3  53 o 5.4040  0.4554 -1.018000      0.9108000 
1 1 1 21 3  54 o 1.8420  0.5872 -0.2996000     1.174000  
1 1 1 21 3  55 o 2.9190  0.7021 -0.1303000     1.404000  
1 1 1 21 3  56 o 3.2600  0.5580 2.487000       1.116000  
1 1 1 21 3  57 o 7.1870  0.3230 0.8125000      0.6461000 
1 1 1 21 3  58 o 3.8830  0.5749 1.059000       1.150000  
1 1 1 21 3  59 o 2.2750  0.6218 0.1838000E-01  1.244000  
1 1 1 21 3  60 o 5.5360  0.4956 -1.229000      0.9912000 
1 1 1 21 3  61 o 4.4660  0.4936 -0.2817000     0.9872000 
1 1 1 21 4  0  o 30.020  0.2518 0.000000       0.000000  
1 1 1 21 4  1  o 13.630  0.1949 -0.4585000     0.3897000 
1 1 1 21 4  2  o 17.210  0.1981 -0.3121000     0.3962000 
1 1 1 21 4  3  o 9.4450  0.2851 0.5394000      0.5701000 
1 1 1 21 4  4  o 3.7420  0.6957 -1.630000      1.391000  
1 1 1 21 4  5  o 26.110  0.1687 -0.6719000     0.3373000 
1 1 1 21 4  6  f 6.0740  0.5587 ?              ?         
1 1 1 21 4  7  o 20.530  0.1819 -0.4795000     0.3638000 
1 1 1 21 4  8  o 8.6660  0.3428 -0.6179000     0.6856000 
1 1 1 21 4  9  o 18.090  0.1880 -0.4560000     0.3759000 
1 1 1 21 4  10 o 28.260  0.1815 -0.7250000     0.3631000 
1 1 1 21 4  11 o 2.0380  0.6113 0.7268000      1.223000  
1 1 1 21 4  12 o 13.750  0.2258 0.7319000      0.4515000 
1 1 1 21 4  13 o 26.060  0.1758 0.1526000E-01  0.3516000 
1 1 1 21 4  14 o 10.160  0.2948 -0.3921000E-01 0.5897000 
1 1 1 21 4  15 f 15.720  0.2232 -0.7428000     0.4463000 
1 1 1 21 4  16 o 9.6560  0.3101 -1.529000      0.6203000 
1 1 1 21 4  17 o 6.6590  0.4319 -1.100000      0.8638000 
1 1 1 21 4  18 o 8.3160  0.4009 -0.6570000     0.8017000 
1 1 1 21 4  19 o 10.800  0.2904 -0.3793000     0.5808000 
1 1 1 21 4  20 o 18.410  0.2143 0.4917000      0.4287000 
1 1 1 21 4  21 o 8.1730  0.3873 1.201000       0.7746000 
1 1 1 21 4  22 o 15.400  0.3271 -0.8613000E-02 0.6542000 
1 1 1 21 4  23 o 16.160  0.3237 0.6427000      0.6474000 
1 1 1 21 4  24 o 3.0520  0.8650 -0.5747000     1.730000  
1 1 1 21 4  25 o 14.610  0.2487 0.5373000E-02  0.4975000 
1 1 1 21 4  26 o 12.240  0.3594 -0.3645000     0.7189000 
1 1 1 21 4  27 o 13.780  0.3319 -0.3459000E-01 0.6637000 
1 1 1 21 4  28 o 12.770  0.2913 -0.3199000     0.5826000 
1 1 1 21 4  29 o 20.110  0.1926 -0.5917000     0.3851000 
1 1 1 21 4  30 o 4.7680  0.5647 0.1867000      1.129000  
1 1 1 21 4  31 o 9.0650  0.3037 -0.6836000E-01 0.6075000 
1 1 1 21 4  32 o 2.6230  0.7281 -0.2063000     1.456000  
1 1 1 21 4  33 o 14.180  0.2237 1.044000       0.4473000 
1 1 1 21 4  34 o 7.5070  0.3623 -0.9861000     0.7247000 
1 1 1 21 4  35 o 5.0190  0.5721 2.732000       1.144000  
1 1 1 21 4  36 o 2.8980  0.6994 -0.6127000     1.399000  
1 1 1 21 4  37 o 5.3910  0.4746 -0.7609000     0.9492000 
1 1 1 21 4  38 o 3.4520  0.6691 -0.8621000     1.338000  
1 1 1 21 4  39 f 4.9590  0.5108 -0.3892000     1.022000  
1 1 1 21 4  40 o 9.6900  0.3095 0.4430000      0.6189000 
1 1 1 21 4  41 o 2.8070  0.7377 0.9059000      1.475000  
1 1 1 21 4  42 o 7.4730  0.4268 0.3910000      0.8537000 
1 1 1 21 4  43 o 2.4140  0.6888 -0.7107000     1.378000  
1 1 1 21 4  44 o 1.9930  0.6334 -1.127000      1.267000  
1 1 1 21 4  45 o 4.2260  0.7761 -0.1348000     1.552000  
1 1 1 21 4  46 f 3.9560  0.6382 -0.1225000     1.276000  
1 1 1 21 4  47 o 9.0000  0.3090 0.2647000      0.6181000 
1 1 1 21 4  48 o 2.0870  0.6388 -0.1922000     1.278000  
1 1 1 21 4  49 o 4.2770  0.5464 -1.161000      1.093000  
1 1 1 21 4  50 o 8.1340  0.4776 0.9469000      0.9552000 
1 1 1 21 4  51 o 5.7740  0.6588 1.289000       1.318000  
1 1 1 21 4  52 o 6.0220  0.3849 -0.1858000     0.7698000 
1 1 1 21 4  53 o 7.0680  0.3248 0.3037000      0.6497000 
1 1 1 21 4  54 o 1.6810  0.5476 0.9765000E-01  1.095000  
1 1 1 21 4  55 o 5.3370  0.4263 0.1155000      0.8526000 
1 1 1 21 4  56 o 3.5480  0.6348 0.7572000      1.270000  
1 1 1 21 4  57 o 3.1350  0.5850 1.932000       1.170000  
1 1 1 21 4  58 o 6.9960  0.3354 0.5304000      0.6709000 
1 1 1 21 4  59 o 3.7480  0.5537 1.990000       1.107000  
1 1 1 21 4  60 o 6.6230  0.3373 0.5844000      0.6746000 
1 1 1 21 4  61 o 4.0840  0.5813 0.9340000E-01  1.163000  
1 1 1 21 5  0  o 2.2900  1.1430 0.000000       0.000000  
1 1 1 21 5  1  o 12.890  0.2350 0.8319000E-01  0.4700000 
1 1 1 21 5  2  o 14.490  0.2224 0.1208000      0.4448000 
1 1 1 21 5  3  o 12.450  0.2353 0.1403000      0.4707000 
1 1 1 21 5  4  o 8.8960  0.3012 0.2153000      0.6024000 
1 1 1 21 5  5  o 8.5810  0.2755 0.9238000      0.5511000 
1 1 1 21 5  6  o 8.7750  0.3263 -0.7286000E-01 0.6526000 
1 1 1 21 5  7  o 4.1950  0.6263 1.468000       1.253000  
1 1 1 21 5  8  o 13.280  0.3153 -0.5064000     0.6306000 
1 1 1 21 5  9  o 23.520  0.1805 0.9882000E-01  0.3610000 
1 1 1 21 5  10 o 7.6740  0.3039 0.3531000      0.6078000 
1 1 1 21 5  11 o 12.200  0.2232 0.3801000E-01  0.4464000 
1 1 1 21 5  12 o 13.450  0.2100 -0.5992000     0.4200000 
1 1 1 21 5  13 o 2.5010  0.6327 -1.548000      1.265000  
1 1 1 21 5  14 o 21.960  0.1779 -0.1157000     0.3558000 
1 1 1 21 5  15 f 3.1070  0.6662 -1.265000      1.332000  
1 1 1 21 5  16 o 17.800  0.2175 -0.8347000     0.4351000 
1 1 1 21 5  17 o 11.970  0.2729 0.5383000      0.5457000 
1 1 1 21 5  18 o 2.1750  0.6724 -0.3009000     1.345000  
1 1 1 21 5  19 o 7.6020  0.3986 0.5451000      0.7973000 
1 1 1 21 5  20 o 12.830  0.2583 -0.2147000     0.5166000 
1 1 1 21 5  21 o 4.3870  0.7719 1.420000       1.544000  
1 1 1 21 5  22 f 13.700  0.3479 -0.2313000     0.6958000 
1 1 1 21 5  23 o 3.6410  0.8662 0.2958000      1.732000  
1 1 1 21 5  24 o 5.3460  0.6286 -0.2945000     1.257000  
1 1 1 21 5  25 o 10.090  0.3467 0.6492000      0.6935000 
1 1 1 21 5  26 o 12.920  0.3394 -0.8185000     0.6787000 
1 1 1 21 5  27 o 10.330  0.4064 -0.1006000     0.8127000 
1 1 1 21 5  28 o 2.0530  0.6423 0.4196000      1.285000  
1 1 1 21 5  29 o 5.7360  0.5142 -1.037000      1.028000  
1 1 1 21 5  30 o 3.4870  0.7253 0.7847000      1.451000  
1 1 1 21 5  31 o 3.3650  0.6950 1.418000       1.390000  
1 1 1 21 5  32 o 14.400  0.2470 -0.9198000     0.4940000 
1 1 1 21 5  33 f 14.810  0.2446 0.7622000      0.4891000 
1 1 1 21 5  34 o 3.8990  0.7276 0.1030000      1.455000  
1 1 1 21 5  35 o 12.650  0.2953 0.6854000E-01  0.5905000 
1 1 1 21 5  36 o 2.6810  0.7398 0.7790000      1.480000  
1 1 1 21 5  37 o 3.2410  0.7272 -0.9866000     1.454000  
1 1 1 21 5  38 o 8.2530  0.3536 0.4453000      0.7072000 
1 1 1 21 5  39 o 7.5170  0.3530 1.664000       0.7060000 
1 1 1 21 5  40 o 2.5210  0.7068 -0.2417000     1.414000  
1 1 1 21 5  41 o 4.7950  0.6085 -1.110000      1.217000  
1 1 1 21 5  42 o 2.2410  0.6131 -1.572000      1.226000  
1 1 1 21 5  43 o 8.1140  0.4071 0.1607000E-01  0.8142000 
1 1 1 21 5  44 o 2.2040  0.6388 -1.132000      1.278000  
1 1 1 21 5  45 o 4.7610  0.6899 -2.004000      1.380000  
1 1 1 21 5  46 o 5.4840  0.7126 -0.4764000     1.425000  
1 1 1 21 5  47 o 5.5950  0.7000 0.9150000E-02  1.400000  
1 1 1 21 5  48 o 6.5720  0.4133 0.1099000      0.8267000 
1 1 1 21 5  49 o 2.4780  1.0130 ?              ?         
1 1 1 21 5  50 o 8.3150  0.3519 1.088000       0.7037000 
1 1 1 21 5  51 o 6.5910  0.4337 0.4583000      0.8673000 
1 1 1 21 5  52 o 1.5820  0.5408 -0.4434000     1.082000  
1 1 1 21 5  53 o 3.5990  0.5616 2.108000       1.123000  
1 1 1 21 5  54 o 8.0910  0.2914 -0.2644000     0.5827000 
1 1 1 21 5  55 o 2.3670  0.6347 -0.4054000     1.269000  
1 1 1 21 5  56 o 3.8950  0.5496 1.135000       1.099000  
1 1 1 21 5  57 f 3.0770  0.5781 1.227000       1.156000  
1 1 1 21 5  58 o 7.0400  0.3194 0.1832000      0.6387000 
1 1 1 21 5  59 o 2.2870  0.6131 0.6632000      1.226000  
1 1 1 21 5  60 o 2.1060  0.6091 -0.7334000     1.218000  
1 1 1 21 5  61 o 2.4760  0.5718 1.649000       1.144000  
1 1 1 21 6  0  o 22.630  0.2464 0.000000       0.000000  
1 1 1 21 6  1  o 18.780  0.2017 -0.3523000     0.4033000 
1 1 1 21 6  2  o 3.9400  0.6634 0.6696000      1.327000  
1 1 1 21 6  3  o 17.740  0.2049 -0.1848000     0.4098000 
1 1 1 21 6  4  o 16.530  0.1868 -0.3144000     0.3736000 
1 1 1 21 6  5  o 5.2650  0.5565 0.2055000      1.113000  
1 1 1 21 6  6  o 13.410  0.2193 -0.8019000     0.4387000 
1 1 1 21 6  7  o 12.650  0.2517 -0.2913000     0.5035000 
1 1 1 21 6  8  o 17.310  0.2148 0.3431000      0.4295000 
1 1 1 21 6  9  o 24.110  0.1959 0.3014000      0.3918000 
1 1 1 21 6  10 o 10.880  0.2431 0.6067000      0.4862000 
1 1 1 21 6  11 o 13.060  0.2138 0.9844000E-01  0.4276000 
1 1 1 21 6  12 o 6.2560  0.3987 0.7681000      0.7974000 
1 1 1 21 6  13 o 9.1760  0.2801 -0.1255000     0.5602000 
1 1 1 21 6  14 f 22.220  0.1779 0.1199000      0.3559000 
1 1 1 21 6  15 o 3.3070  0.6825 -0.7401000     1.365000  
1 1 1 21 6  16 o 3.1450  0.6924 -0.2956000     1.385000  
1 1 1 21 6  17 o 2.9890  0.6915 -0.5752000     1.383000  
1 1 1 21 6  18 o 21.760  0.2078 -0.5110000E-01 0.4157000 
1 1 1 21 6  19 o 12.420  0.2767 0.4057000E-01  0.5533000 
1 1 1 21 6  20 o 10.860  0.3929 -0.3778000     0.7857000 
1 1 1 21 6  21 o 2.8940  0.8056 -0.9504000E-01 1.611000  
1 1 1 21 6  22 o 15.650  0.3291 0.9130000      0.6583000 
1 1 1 21 6  23 f 4.7590  0.6853 1.668000       1.371000  
1 1 1 21 6  24 o 18.080  0.2242 -0.7496000     0.4484000 
1 1 1 21 6  25 o 7.7190  0.5176 0.1690000      1.035000  
1 1 1 21 6  26 o 10.020  0.4201 1.291000       0.8403000 
1 1 1 21 6  27 o 4.6630  0.6734 2.786000       1.347000  
1 1 1 21 6  28 o 12.840  0.2387 -0.2921000     0.4774000 
1 1 1 21 6  29 o 11.100  0.2633 -0.4298000E-01 0.5266000 
1 1 1 21 6  30 o 4.5940  0.5939 -1.356000      1.188000  
1 1 1 21 6  31 o 5.4290  0.4957 0.1166000      0.9913000 
1 1 1 21 6  32 o 13.860  0.2275 -0.2474000E-01 0.4551000 
1 1 1 21 6  33 o 2.2260  0.6522 0.6280000      1.304000  
1 1 1 21 6  34 o 7.6130  0.3252 -0.1714000     0.6505000 
1 1 1 21 6  35 o 3.5140  0.5997 1.813000       1.199000  
1 1 1 21 6  36 o 11.110  0.2355 -0.1037000     0.4709000 
1 1 1 21 6  37 o 2.6960  0.6463 -1.608000      1.293000  
1 1 1 21 6  38 o 4.5190  0.5493 0.1820000      1.099000  
1 1 1 21 6  39 o 3.1440  0.7409 -0.1667000     1.482000  
1 1 1 21 6  40 o 7.1280  0.3502 0.1732000      0.7004000 
1 1 1 21 6  41 f 1.7490  0.5617 -0.1373000     1.123000  
1 1 1 21 6  42 o 7.1340  0.3362 -0.6259000     0.6723000 
1 1 1 21 6  43 o 5.5770  0.4128 0.3970000      0.8257000 
1 1 1 21 6  44 o 9.1540  0.2516 0.3180000      0.5031000 
1 1 1 21 6  45 o 5.6390  0.4151 -1.087000      0.8302000 
1 1 1 21 6  46 o 7.7160  0.3315 0.1432000      0.6631000 
1 1 1 21 6  47 f 6.1930  0.3720 0.4079000E-01  0.7439000 
1 1 1 21 6  48 o 2.8800  0.6530 -0.5142000     1.306000  
1 1 1 21 6  49 o 6.3080  0.3582 -0.4426000     0.7163000 
1 1 1 21 6  50 o 2.3810  0.6297 0.8143000E-01  1.259000  
1 1 1 21 6  51 o 2.4590  0.5649 1.653000       1.130000  
1 1 1 21 6  52 o 2.6650  0.6614 -0.3560000E-01 1.323000  
1 1 1 21 6  53 o 4.6830  0.6093 0.2654000E-01  1.219000  
1 1 1 21 6  54 o 6.0870  0.5007 1.065000       1.001000  
1 1 1 21 6  55 o 4.4970  0.6816 0.6056000      1.363000  
1 1 1 21 6  56 o 4.5870  0.5327 -1.524000      1.065000  
1 1 1 21 6  57 o 2.1710  0.6305 0.2461000      1.261000  
1 1 1 21 6  58 o 3.2290  0.5933 -1.072000      1.187000  
1 1 1 21 6  59 o 2.6190  0.6274 0.6976000      1.255000  
1 1 1 21 6  60 f 2.1600  0.6103 0.2815000      1.221000  
1 1 1 21 6  61 o 4.2530  0.5604 -2.129000      1.121000  
1 1 1 21 7  0  o 11.320  0.3264 0.000000       0.000000  
1 1 1 21 7  1  o 3.6490  0.6767 -1.080000      1.353000  
1 1 1 21 7  2  o 8.3710  0.3336 0.5916000      0.6672000 
1 1 1 21 7  3  o 8.2070  0.3413 -0.9212000E-01 0.6827000 
1 1 1 21 7  4  o 9.9520  0.2574 -0.1145000     0.5148000 
1 1 1 21 7  5  o 12.390  0.2582 -0.4749000     0.5163000 
1 1 1 21 7  6  o 7.5970  0.4045 1.288000       0.8091000 
1 1 1 21 7  7  o 25.940  0.2565 0.6611000      0.5129000 
1 1 1 21 7  8  o 7.2090  0.3445 0.9285000      0.6889000 
1 1 1 21 7  9  o 7.4670  0.3604 -0.8398000E-01 0.7208000 
1 1 1 21 7  10 o 11.480  0.2359 0.6919000      0.4717000 
1 1 1 21 7  11 o 13.510  0.2316 -0.5448000     0.4631000 
1 1 1 21 7  12 o 10.230  0.2600 1.048000       0.5199000 
1 1 1 21 7  13 o 1.9330  0.6040 0.3949000      1.208000  
1 1 1 21 7  14 o 10.850  0.2491 -0.2500000     0.4981000 
1 1 1 21 7  15 o 13.030  0.2222 1.012000       0.4444000 
1 1 1 21 7  16 o 6.3070  0.4032 0.2330000      0.8065000 
1 1 1 21 7  17 o 9.3080  0.2898 0.7542000      0.5795000 
1 1 1 21 7  18 o 13.220  0.2501 -0.7198000E-01 0.5002000 
1 1 1 21 7  19 o 14.940  0.3183 -0.8109000     0.6366000 
1 1 1 21 7  20 o 12.560  0.3686 0.2995000      0.7372000 
1 1 1 21 7  21 o 12.320  0.3823 -0.5827000     0.7647000 
1 1 1 21 7  22 o 6.5040  0.8029 ?              ?         
1 1 1 21 7  23 o 7.0550  0.7088 ?              ?         
1 1 1 21 7  24 o 11.380  0.3115 0.5527000      0.6229000 
1 1 1 21 7  25 o 8.6110  0.4456 -1.786000      0.8912000 
1 1 1 21 7  26 o 18.510  0.2924 0.4678000      0.5848000 
1 1 1 21 7  27 o 7.3080  0.4580 -1.783000      0.9160000 
1 1 1 21 7  28 o 5.5200  0.4991 0.5601000      0.9982000 
1 1 1 21 7  29 o 7.9410  0.3475 0.3099000      0.6951000 
1 1 1 21 7  30 o 13.130  0.2348 -0.2542000E-02 0.4697000 
1 1 1 21 7  31 o 5.6410  0.4840 -1.626000      0.9680000 
1 1 1 21 7  32 o 5.3060  0.5344 1.560000       1.069000  
1 1 1 21 7  33 o 4.7970  0.5667 0.6446000      1.133000  
1 1 1 21 7  34 o 6.0470  0.4266 -0.4670000     0.8533000 
1 1 1 21 7  35 o 6.0490  0.3875 -0.5515000     0.7749000 
1 1 1 21 7  36 o 6.5120  0.3244 0.1468000      0.6488000 
1 1 1 21 7  37 o 6.8950  0.3518 -3.076000      0.7037000 
1 1 1 21 7  38 o 8.8580  0.2726 -0.9302000     0.5452000 
1 1 1 21 7  39 o 1.7460  0.5491 0.7830000E-01  1.098000  
1 1 1 21 7  40 o 4.9600  0.5045 1.007000       1.009000  
1 1 1 21 7  41 o 3.0220  0.6072 1.293000       1.214000  
1 1 1 21 7  42 o 9.4390  0.2556 0.4309000      0.5112000 
1 1 1 21 7  43 o 5.9490  0.3572 -0.9148000     0.7144000 
1 1 1 21 7  44 o 3.2260  0.6083 1.374000       1.217000  
1 1 1 21 7  45 o 2.2420  0.6401 0.3560000      1.280000  
1 1 1 21 7  46 o 8.2930  0.2820 0.4856000      0.5641000 
1 1 1 21 7  47 o 2.4630  0.6258 -0.1181000     1.252000  
1 1 1 21 7  48 o 7.1590  0.3158 -0.2550000E-01 0.6315000 
1 1 1 21 7  49 o 6.0380  0.3681 -1.205000      0.7362000 
1 1 1 21 7  50 o 2.3290  0.6164 0.2750000      1.233000  
1 1 1 21 7  51 o 5.3390  0.4277 -1.430000      0.8555000 
1 1 1 21 7  52 o 7.0030  0.3427 1.009000       0.6853000 
1 1 1 21 7  53 f 7.8400  0.2937 1.460000       0.5874000 
1 1 1 21 7  54 o 2.7800  0.6464 0.6723000      1.293000  
1 1 1 21 7  55 o 2.3250  0.6144 -0.5722000     1.229000  
1 1 1 21 7  56 o 8.8300  0.2471 0.4316000      0.4942000 
1 1 1 21 7  57 o 1.9500  0.5213 1.270000       1.043000  
1 1 1 21 7  58 o 3.8100  0.5291 -0.7456000     1.058000  
1 1 1 21 7  59 o 1.8600  0.5624 -0.8832000     1.125000  
1 1 1 21 7  60 o 1.8610  0.5870 -0.5216000     1.174000  
1 1 1 21 8  0  o 4.7280  0.7980 0.000000       0.000000  
1 1 1 21 8  1  o 10.620  0.2860 -0.3047000     0.5720000 
1 1 1 21 8  2  o 8.4950  0.3413 -0.9257000     0.6826000 
1 1 1 21 8  3  o 4.2450  0.6460 1.339000       1.292000  
1 1 1 21 8  4  o 9.7890  0.2652 -0.8409000     0.5305000 
1 1 1 21 8  5  o 7.3910  0.3928 0.1023000      0.7857000 
1 1 1 21 8  6  o 2.6460  0.7762 -1.988000      1.552000  
1 1 1 21 8  7  o 11.460  0.3690 0.8880000      0.7380000 
1 1 1 21 8  8  o 5.8430  0.4740 0.7143000      0.9479000 
1 1 1 21 8  9  o 1.9970  0.6123 0.5972000      1.225000  
1 1 1 21 8  10 f 4.0400  0.6089 -0.1150000     1.218000  
1 1 1 21 8  11 o 9.9260  0.2890 -0.4097000     0.5780000 
1 1 1 21 8  12 o 6.7070  0.4073 0.3709000      0.8146000 
1 1 1 21 8  13 f 16.430  0.1969 0.4812000E-02  0.3939000 
1 1 1 21 8  14 o 15.330  0.2035 0.2646000      0.4071000 
1 1 1 21 8  15 o 3.5810  0.6590 -2.580000      1.318000  
1 1 1 21 8  16 o 5.2380  0.5063 0.3287000      1.013000  
1 1 1 21 8  17 o 13.430  0.2508 0.4528000E-01  0.5015000 
1 1 1 21 8  18 o 29.950  0.2572 ?              ?         
1 1 1 21 8  19 o 26.030  0.2036 -0.4207000     0.4072000 
1 1 1 21 8  20 o 7.3860  0.3958 -0.5930000E-01 0.7917000 
1 1 1 21 8  21 o 5.3100  0.6393 -0.2245000     1.279000  
1 1 1 21 8  22 o 12.420  0.2987 0.4786000      0.5974000 
1 1 1 21 8  23 o 9.4730  0.3496 -0.2631000     0.6991000 
1 1 1 21 8  24 o 5.8470  0.6763 0.2977000      1.353000  
1 1 1 21 8  25 o 6.1780  0.6074 -1.304000      1.215000  
1 1 1 21 8  26 o 3.5100  0.7092 -0.4987000E-01 1.418000  
1 1 1 21 8  27 o 10.480  0.2763 -0.9807000E-01 0.5525000 
1 1 1 21 8  28 o 8.7020  0.3159 -0.7932000     0.6319000 
1 1 1 21 8  29 o 2.5540  0.6452 1.150000       1.290000  
1 1 1 21 8  30 o 6.5550  0.3702 0.7548000      0.7404000 
1 1 1 21 8  31 o 10.650  0.2446 0.1127000      0.4893000 
1 1 1 21 8  32 o 3.3000  0.6597 0.2865000      1.319000  
1 1 1 21 8  33 o 4.2440  0.5581 -1.050000      1.116000  
1 1 1 21 8  34 o 3.9870  0.5846 -0.1197000     1.169000  
1 1 1 21 8  35 o 15.700  0.1734 0.1014000      0.3467000 
1 1 1 21 8  36 o 9.1620  0.2437 0.6456000      0.4874000 
1 1 1 21 8  37 o 1.8860  0.5869 0.1995000      1.174000  
1 1 1 21 8  38 f 8.0490  0.2658 -0.1854000     0.5317000 
1 1 1 21 8  39 o 2.5210  0.6572 -0.8504000     1.314000  
1 1 1 21 8  40 o 4.4760  0.4827 1.283000       0.9654000 
1 1 1 21 8  41 o 8.2350  0.2534 -0.1751000     0.5069000 
1 1 1 21 8  42 o 10.650  0.2083 -0.2948000E-01 0.4165000 
1 1 1 21 8  43 o 9.3740  0.2392 0.1227000      0.4784000 
1 1 1 21 8  44 o 11.700  0.2360 0.8230000      0.4720000 
1 1 1 21 8  45 o 3.1830  0.5867 1.756000       1.173000  
1 1 1 21 8  46 o 6.1760  0.3387 0.8665000      0.6774000 
1 1 1 21 8  47 o 1.7060  0.5486 -0.7043000     1.097000  
1 1 1 21 8  48 o 3.5150  0.5693 1.510000       1.139000  
1 1 1 21 8  49 o 3.9130  0.5169 0.4221000E-01  1.034000  
1 1 1 21 8  50 o 2.6760  0.5787 1.151000       1.157000  
1 1 1 21 8  51 o 6.7460  0.3498 0.7673000      0.6996000 
1 1 1 21 8  52 o 2.1020  0.6152 -0.4472000     1.230000  
1 1 1 21 8  53 o 2.0160  0.5796 0.2588000      1.159000  
1 1 1 21 8  54 o 4.0880  0.5281 1.344000       1.056000  
1 1 1 21 8  55 o 2.9560  0.5968 -2.131000      1.194000  
1 1 1 21 8  56 o 5.4450  0.3936 -1.045000      0.7873000 
1 1 1 21 8  57 o 2.1420  0.5691 0.7121000      1.138000  
1 1 1 21 8  58 o 2.1870  0.6060 -0.5804000     1.212000  
1 1 1 21 8  59 o 2.3720  0.6179 0.7954000E-01  1.236000  
1 1 1 21 8  60 o 2.0600  0.6042 -0.7546000     1.208000  
1 1 1 21 9  0  o 9.7560  0.3862 0.000000       0.000000  
1 1 1 21 9  1  o 15.750  0.2248 0.7810000      0.4495000 
1 1 1 21 9  2  o 12.420  0.2609 0.1696000      0.5219000 
1 1 1 21 9  3  o 12.430  0.2599 0.9599000      0.5198000 
1 1 1 21 9  4  o 17.160  0.2095 0.5172000      0.4191000 
1 1 1 21 9  5  o 15.150  0.3009 0.8474000      0.6018000 
1 1 1 21 9  6  o 21.200  0.2650 0.7625000      0.5300000 
1 1 1 21 9  7  o 6.4560  0.6246 -0.2410000     1.249000  
1 1 1 21 9  8  o 16.210  0.2141 -0.5810000     0.4283000 
1 1 1 21 9  9  o 11.680  0.2787 -0.3100000     0.5573000 
1 1 1 21 9  10 o 8.7600  0.3260 0.9828000E-01  0.6519000 
1 1 1 21 9  11 o 6.4890  0.4584 1.111000       0.9167000 
1 1 1 21 9  12 o 6.0430  0.5127 1.096000       1.025000  
1 1 1 21 9  13 o 14.780  0.2099 -0.4055000     0.4198000 
1 1 1 21 9  14 o 7.5600  0.3967 1.808000       0.7934000 
1 1 1 21 9  15 o 26.090  0.2009 0.2745000      0.4018000 
1 1 1 21 9  16 o 9.6300  0.3145 -0.2703000     0.6289000 
1 1 1 21 9  17 o 11.190  0.2800 -0.2406000     0.5599000 
1 1 1 21 9  18 o 9.8900  0.3114 0.8574000      0.6228000 
1 1 1 21 9  19 o 8.3530  0.3258 0.4595000      0.6516000 
1 1 1 21 9  20 o 1.8070  0.5973 0.4346000E-01  1.195000  
1 1 1 21 9  21 o 13.450  0.2614 0.2073000      0.5229000 
1 1 1 21 9  22 o 9.4790  0.3512 -0.3885000     0.7023000 
1 1 1 21 9  23 o 3.4100  0.7087 -2.591000      1.417000  
1 1 1 21 9  24 o 17.690  0.2353 -0.3123000     0.4707000 
1 1 1 21 9  25 o 13.800  0.2298 0.2411000      0.4596000 
1 1 1 21 9  26 o 8.5730  0.2945 -0.8146000     0.5889000 
1 1 1 21 9  27 o 4.9420  0.5038 0.9155000      1.008000  
1 1 1 21 9  28 o 8.1330  0.3021 -0.3244000     0.6043000 
1 1 1 21 9  29 o 2.5200  0.6501 0.7890000      1.300000  
1 1 1 21 9  30 o 6.8960  0.3615 1.449000       0.7230000 
1 1 1 21 9  31 o 13.620  0.2065 0.2186000      0.4130000 
1 1 1 21 9  32 o 6.1340  0.3926 0.6012000      0.7852000 
1 1 1 21 9  33 o 2.2820  0.6094 -1.397000      1.219000  
1 1 1 21 9  34 o 11.750  0.2232 0.8220000      0.4464000 
1 1 1 21 9  35 o 9.6370  0.2321 -0.3552000     0.4641000 
1 1 1 21 9  36 o 5.5510  0.4107 0.2657000E-01  0.8215000 
1 1 1 21 9  37 o 6.5130  0.3704 1.290000       0.7408000 
1 1 1 21 9  38 o 6.2800  0.3374 -0.6736000     0.6748000 
1 1 1 21 9  39 o 4.2580  0.5049 1.800000       1.010000  
1 1 1 21 9  40 o 2.4930  0.5673 0.8717000      1.135000  
1 1 1 21 9  41 o 8.2350  0.2497 0.3722000      0.4994000 
1 1 1 21 9  42 o 5.4110  0.3527 -0.1713000E-01 0.7054000 
1 1 1 21 9  43 o 6.9970  0.3202 0.1659000      0.6404000 
1 1 1 21 9  44 o 6.9840  0.3155 -0.2431000E-01 0.6311000 
1 1 1 21 9  45 o 9.2950  0.2210 0.5141000      0.4419000 
1 1 1 21 9  46 f 4.6660  0.4227 -0.3472000     0.8454000 
1 1 1 21 9  47 o 5.0960  0.4067 -0.3735000     0.8135000 
1 1 1 21 9  48 o 5.4630  0.3714 0.8958000      0.7429000 
1 1 1 21 9  49 o 1.9840  0.5778 -0.6903000     1.156000  
1 1 1 21 9  50 o 3.7710  0.5688 0.6498000      1.138000  
1 1 1 21 9  51 f 2.1350  0.5812 0.5150000      1.162000  
1 1 1 21 9  52 o 2.1870  0.6188 -0.3635000     1.238000  
1 1 1 21 9  53 o 1.8150  0.5554 -0.9806000E-01 1.111000  
1 1 1 21 9  54 o 4.3120  0.4804 -0.2576000     0.9609000 
1 1 1 21 9  55 f 2.2150  0.5530 1.088000       1.106000  
1 1 1 21 9  56 o 5.5600  0.4387 1.233000       0.8773000 
1 1 1 21 9  57 o 1.8750  0.5737 -0.1386000     1.147000  
1 1 1 21 9  58 o 2.4380  0.6765 1.510000       1.353000  
1 1 1 21 9  59 f 2.7560  0.6621 -1.168000      1.324000  
1 1 1 21 10 0  o 7.2610  0.5158 0.000000       0.000000  
1 1 1 21 10 1  o 10.670  0.2989 -0.8102000     0.5978000 
1 1 1 21 10 2  o 4.8920  0.6548 -0.7702000     1.310000  
1 1 1 21 10 3  o 17.540  0.2366 0.7199000      0.4732000 
1 1 1 21 10 4  o 20.680  0.2010 -0.9633000E-01 0.4020000 
1 1 1 21 10 5  o 7.9420  0.5380 0.6241000      1.076000  
1 1 1 21 10 6  o 18.630  0.2878 1.160000       0.5756000 
1 1 1 21 10 7  o 2.4230  0.7736 -0.7858000     1.547000  
1 1 1 21 10 8  o 7.1520  0.4028 -0.5226000E-01 0.8055000 
1 1 1 21 10 9  o 4.5790  0.6364 1.556000       1.273000  
1 1 1 21 10 10 o 15.000  0.2294 0.2486000      0.4587000 
1 1 1 21 10 11 o 6.2410  0.4618 -0.5009000     0.9237000 
1 1 1 21 10 12 o 11.040  0.2644 -0.3647000E-01 0.5287000 
1 1 1 21 10 13 o 23.030  0.1868 0.6459000      0.3736000 
1 1 1 21 10 14 o 4.6460  0.6333 -1.408000      1.267000  
1 1 1 21 10 15 o 5.7710  0.5498 1.539000       1.100000  
1 1 1 21 10 16 o 8.5540  0.3306 0.7277000E-02  0.6611000 
1 1 1 21 10 17 o 18.770  0.1913 -0.1311000     0.3826000 
1 1 1 21 10 18 o 4.5460  0.5462 -0.3327000     1.092000  
1 1 1 21 10 19 o 3.5610  0.7084 -0.7453000     1.417000  
1 1 1 21 10 20 o 22.060  0.2139 0.5384000      0.4278000 
1 1 1 21 10 21 o 2.9320  0.7387 -0.5986000     1.477000  
1 1 1 21 10 22 o 12.070  0.2500 0.1665000      0.5000000 
1 1 1 21 10 23 o 10.850  0.2536 -0.5137000     0.5071000 
1 1 1 21 10 24 o 10.320  0.3121 0.1370000      0.6243000 
1 1 1 21 10 25 o 7.9470  0.3149 -0.1646000E-01 0.6297000 
1 1 1 21 10 26 o 4.2670  0.5631 -0.2801000     1.126000  
1 1 1 21 10 27 o 3.3500  0.6627 0.6336000E-01  1.325000  
1 1 1 21 10 28 o 6.4230  0.3705 -0.1269000     0.7410000 
1 1 1 21 10 29 o 3.6570  0.6332 -0.1084000     1.266000  
1 1 1 21 10 30 o 14.110  0.2023 -0.2181000     0.4047000 
1 1 1 21 10 31 o 4.0660  0.5839 1.061000       1.168000  
1 1 1 21 10 32 o 3.4700  0.6122 -1.460000      1.224000  
1 1 1 21 10 33 o 1.7750  0.5581 -0.9277000     1.116000  
1 1 1 21 10 34 o 7.4180  0.3168 0.7577000      0.6337000 
1 1 1 21 10 35 o 11.980  0.2195 -0.4682000     0.4390000 
1 1 1 21 10 36 o 6.3620  0.3743 -0.1046000     0.7485000 
1 1 1 21 10 37 o 7.2490  0.3063 0.3923000      0.6125000 
1 1 1 21 10 38 o 5.2240  0.3910 -1.973000      0.7821000 
1 1 1 21 10 39 o 7.9140  0.2607 0.2344000      0.5213000 
1 1 1 21 10 40 o 4.1330  0.4835 0.5893000      0.9671000 
1 1 1 21 10 41 o 5.9630  0.3270 0.7228000      0.6540000 
1 1 1 21 10 42 o 3.3210  0.5811 -0.4767000     1.162000  
1 1 1 21 10 43 o 6.6690  0.3264 0.4678000      0.6529000 
1 1 1 21 10 44 o 2.6530  0.5611 -0.8353000E-01 1.122000  
1 1 1 21 10 45 o 4.8310  0.4263 0.4333000      0.8525000 
1 1 1 21 10 46 o 6.1770  0.4642 1.444000       0.9284000 
1 1 1 21 10 47 o 8.4270  0.3385 0.7050000      0.6770000 
1 1 1 21 10 48 o 6.0340  0.4576 -0.6504000E-01 0.9151000 
1 1 1 21 10 49 o 2.9060  0.6853 1.653000       1.371000  
1 1 1 21 10 50 o 2.8160  0.7290 0.6929000      1.458000  
1 1 1 21 10 51 o 2.1720  0.6547 -0.7759000     1.309000  
1 1 1 21 10 52 o 5.3500  0.5417 0.6621000      1.083000  
1 1 1 21 10 53 o 1.8510  0.5909 -0.5172000     1.182000  
1 1 1 21 10 54 o 8.9230  0.4117 -0.1036000     0.8234000 
1 1 1 21 10 55 o 6.1950  0.5978 0.7803000      1.196000  
1 1 1 21 10 56 o 4.7040  0.5957 -2.766000      1.191000  
1 1 1 21 10 57 o 1.9080  0.6103 0.1578000      1.221000  
1 1 1 21 10 58 o 2.8380  0.7138 -0.6382000     1.428000  
1 1 1 21 10 59 o 2.1650  0.6413 -0.4900000     1.283000  
1 1 1 21 11 0  o 8.0550  0.4205 0.000000       0.000000  
1 1 1 21 11 1  o 15.530  0.1965 -0.3656000     0.3930000 
1 1 1 21 11 2  o 26.500  0.2067 0.3490000      0.4134000 
1 1 1 21 11 3  o 11.270  0.3023 -1.140000      0.6046000 
1 1 1 21 11 4  o 4.5540  0.6005 0.3197000      1.201000  
1 1 1 21 11 5  o 10.380  0.3316 -0.1579000     0.6632000 
1 1 1 21 11 6  o 7.8960  0.4267 -0.3047000     0.8534000 
1 1 1 21 11 7  o 7.5140  0.4694 0.8376000      0.9388000 
1 1 1 21 11 8  o 8.3280  0.3341 -0.2247000     0.6682000 
1 1 1 21 11 9  o 8.2700  0.3341 0.1139000      0.6682000 
1 1 1 21 11 10 o 7.1590  0.4093 -0.3137000     0.8187000 
1 1 1 21 11 11 o 5.0030  0.5797 1.555000       1.159000  
1 1 1 21 11 12 o 4.7280  0.5925 -0.4735000     1.185000  
1 1 1 21 11 13 o 5.0760  0.5505 -1.013000      1.101000  
1 1 1 21 11 14 o 8.2910  0.3401 -0.6678000     0.6802000 
1 1 1 21 11 15 o 16.210  0.2254 0.2069000      0.4507000 
1 1 1 21 11 16 o 3.2700  0.7122 -1.069000      1.424000  
1 1 1 21 11 17 o 15.760  0.2386 0.6045000      0.4773000 
1 1 1 21 11 18 o 14.250  0.2265 -0.1727000     0.4530000 
1 1 1 21 11 19 o 7.2590  0.3982 0.2249000E-01  0.7964000 
1 1 1 21 11 20 o 13.250  0.2598 -0.5238000     0.5196000 
1 1 1 21 11 21 o 7.4950  0.4458 0.2867000      0.8915000 
1 1 1 21 11 22 o 11.750  0.2383 -0.3399000E-01 0.4766000 
1 1 1 21 11 23 o 11.160  0.2454 0.4397000      0.4907000 
1 1 1 21 11 24 o 6.9110  0.3142 -0.6115000     0.6284000 
1 1 1 21 11 25 o 9.0730  0.2732 -0.1566000     0.5464000 
1 1 1 21 11 26 o 7.0310  0.3433 0.5002000      0.6867000 
1 1 1 21 11 27 o 7.2120  0.3303 -0.5115000     0.6606000 
1 1 1 21 11 28 o 7.2320  0.3294 -0.8558000     0.6588000 
1 1 1 21 11 29 o 5.6760  0.4103 -1.358000      0.8207000 
1 1 1 21 11 30 o 7.0840  0.3360 0.7109000      0.6720000 
1 1 1 21 11 31 o 2.6790  0.6532 0.5105000      1.306000  
1 1 1 21 11 32 o 6.0360  0.3865 0.8593000      0.7730000 
1 1 1 21 11 33 o 9.9060  0.3018 -0.1752000E-01 0.6035000 
1 1 1 21 11 34 o 7.4530  0.4090 -0.2726000     0.8179000 
1 1 1 21 11 35 o 3.0920  0.6447 -1.714000      1.289000  
1 1 1 21 11 36 o 7.5980  0.2868 -0.3282000     0.5736000 
1 1 1 21 11 37 o 5.7820  0.3424 -0.2453000     0.6848000 
1 1 1 21 11 38 o 3.4910  0.5260 -1.340000      1.052000  
1 1 1 21 11 39 o 3.9270  0.4438 -0.5504000     0.8875000 
1 1 1 21 11 40 o 5.3080  0.4077 0.4590000E-01  0.8154000 
1 1 1 21 11 41 o 2.0490  0.6257 0.2572000E-01  1.251000  
1 1 1 21 11 42 o 4.1010  0.6072 -0.1021000     1.214000  
1 1 1 21 11 43 o 6.5740  0.3317 0.5310000      0.6635000 
1 1 1 21 11 44 o 3.0170  0.5684 1.818000       1.137000  
1 1 1 21 11 45 o 1.9500  0.5832 0.3923000      1.166000  
1 1 1 21 11 46 o 8.3130  0.2694 -0.6622000     0.5387000 
1 1 1 21 11 47 f 6.9650  0.3166 -0.3329000     0.6333000 
1 1 1 21 11 48 o 2.3070  0.6161 0.5426000      1.232000  
1 1 1 21 11 49 o 7.5980  0.2983 -0.4553000     0.5966000 
1 1 1 21 11 50 o 7.5550  0.3365 0.7231000      0.6730000 
1 1 1 21 11 51 o 3.0690  0.6682 0.8376000      1.336000  
1 1 1 21 11 52 o 3.5190  0.6827 0.6280000      1.365000  
1 1 1 21 11 53 o 4.2450  0.6776 -0.4462000     1.355000  
1 1 1 21 11 54 o 2.5690  0.7162 0.5704000      1.432000  
1 1 1 21 11 55 o 2.2430  0.6407 -0.8645000     1.281000  
1 1 1 21 11 56 o 3.2100  0.7319 -0.1812000     1.464000  
1 1 1 21 11 57 o 3.2150  0.6371 -1.650000      1.274000  
1 1 1 21 11 58 o 2.7010  0.7102 -0.6527000     1.420000  
1 1 1 21 12 0  o 9.4830  0.4178 0.000000       0.000000  
1 1 1 21 12 1  o 7.9080  0.3472 -0.8079000E-01 0.6944000 
1 1 1 21 12 2  o 2.9160  0.7381 0.7118000      1.476000  
1 1 1 21 12 3  o 15.360  0.2470 0.4199000      0.4941000 
1 1 1 21 12 4  o 12.820  0.2429 -0.9203000E-03 0.4858000 
1 1 1 21 12 5  o 5.7470  0.5589 -1.374000      1.118000  
1 1 1 21 12 6  o 10.070  0.3374 -0.5322000     0.6749000 
1 1 1 21 12 7  o 12.830  0.2842 -0.2761000     0.5685000 
1 1 1 21 12 8  o 18.780  0.1837 0.4198000      0.3674000 
1 1 1 21 12 9  o 6.9700  0.3809 0.5768000      0.7617000 
1 1 1 21 12 10 o 10.520  0.2652 0.5472000      0.5304000 
1 1 1 21 12 11 o 5.1160  0.5106 0.1513000      1.021000  
1 1 1 21 12 12 o 12.820  0.2232 -0.2494000     0.4465000 
1 1 1 21 12 13 o 2.7700  0.7105 -0.5658000     1.421000  
1 1 1 21 12 14 o 14.770  0.2083 -0.1682000     0.4166000 
1 1 1 21 12 15 o 4.7780  0.5518 0.5582000      1.104000  
1 1 1 21 12 16 o 3.2370  0.6841 0.4553000      1.368000  
1 1 1 21 12 17 o 14.150  0.2229 1.196000       0.4457000 
1 1 1 21 12 18 o 6.0850  0.4790 0.3348000      0.9580000 
1 1 1 21 12 19 o 11.460  0.3094 0.9262000E-01  0.6187000 
1 1 1 21 12 20 o 13.410  0.2025 -0.4090000     0.4049000 
1 1 1 21 12 21 o 13.270  0.2024 -0.4228000E-01 0.4048000 
1 1 1 21 12 22 o 11.560  0.2212 0.1590000      0.4423000 
1 1 1 21 12 23 o 6.4070  0.3358 2.021000       0.6716000 
1 1 1 21 12 24 o 4.7540  0.4103 -1.123000      0.8207000 
1 1 1 21 12 25 o 7.3510  0.2982 0.1933000      0.5963000 
1 1 1 21 12 26 o 8.4620  0.2886 0.8972000E-01  0.5772000 
1 1 1 21 12 27 o 10.130  0.2332 0.6285000      0.4664000 
1 1 1 21 12 28 o 3.7620  0.5565 1.434000       1.113000  
1 1 1 21 12 29 o 7.3330  0.3201 -0.5155000E-01 0.6401000 
1 1 1 21 12 30 o 5.9040  0.3650 -0.9117000     0.7301000 
1 1 1 21 12 31 o 7.1690  0.3057 0.3170000      0.6114000 
1 1 1 21 12 32 o 9.3150  0.3208 1.500000       0.6417000 
1 1 1 21 12 33 o 8.1800  0.2866 -0.7313000     0.5731000 
1 1 1 21 12 34 o 6.3600  0.3249 0.3146000      0.6499000 
1 1 1 21 12 35 o 3.3390  0.5928 -1.510000      1.186000  
1 1 1 21 12 36 o 2.5730  0.5887 -1.227000      1.177000  
1 1 1 21 12 37 o 5.1170  0.3455 -0.5313000     0.6911000 
1 1 1 21 12 38 o 3.7580  0.5633 0.7273000      1.127000  
1 1 1 21 12 39 o 3.9870  0.5390 0.9203000      1.078000  
1 1 1 21 12 40 o 6.7680  0.3667 0.5952000      0.7333000 
1 1 1 21 12 41 o 3.9620  0.5979 1.041000       1.196000  
1 1 1 21 12 42 o 3.8320  0.5327 -2.110000      1.065000  
1 1 1 21 12 43 o 3.8820  0.5594 -0.8839000     1.119000  
1 1 1 21 12 44 o 5.0280  0.4692 1.234000       0.9383000 
1 1 1 21 12 45 o 2.9050  0.6180 0.1720000      1.236000  
1 1 1 21 12 46 o 7.5570  0.3115 0.2090000      0.6230000 
1 1 1 21 12 47 o 6.1490  0.3819 0.8506000      0.7638000 
1 1 1 21 12 48 o 1.8840  0.5777 0.2143000      1.155000  
1 1 1 21 12 49 o 6.4960  0.4239 0.6382000      0.8478000 
1 1 1 21 12 50 o 2.7440  0.6543 0.3794000      1.309000  
1 1 1 21 12 51 o 2.4900  0.6368 -1.713000      1.274000  
1 1 1 21 12 52 o 4.7320  0.4649 0.4252000      0.9299000 
1 1 1 21 12 53 o 2.7630  0.6247 -1.235000      1.249000  
1 1 1 21 12 54 o 3.5710  0.5886 0.8974000      1.177000  
1 1 1 21 12 55 o 2.9570  0.6034 1.022000       1.207000  
1 1 1 21 12 56 o 1.8900  0.5737 -0.4958000E-01 1.147000  
1 1 1 21 12 57 o 8.2760  0.2808 -0.9188000     0.5616000 
1 1 1 21 13 0  o 4.8700  0.8850 0.000000       0.000000  
1 1 1 21 13 1  o 15.680  0.2115 0.2030000E-01  0.4231000 
1 1 1 21 13 2  o 18.180  0.2006 -0.6990000     0.4012000 
1 1 1 21 13 3  f 12.630  0.3506 0.7738000E-01  0.7012000 
1 1 1 21 13 4  o 14.620  0.2643 -0.2426000     0.5287000 
1 1 1 21 13 5  o 9.4990  0.2915 -0.4363000     0.5830000 
1 1 1 21 13 6  o 7.4390  0.4433 -0.9260000     0.8865000 
1 1 1 21 13 7  o 19.010  0.2314 0.7887000      0.4628000 
1 1 1 21 13 8  o 8.7470  0.3197 -0.5596000     0.6395000 
1 1 1 21 13 9  o 3.2770  0.7052 0.8078000      1.410000  
1 1 1 21 13 10 o 9.2270  0.3005 -0.2405000     0.6010000 
1 1 1 21 13 11 o 9.1530  0.2993 0.2886000      0.5986000 
1 1 1 21 13 12 o 3.3410  0.6775 0.9854000      1.355000  
1 1 1 21 13 13 o 19.750  0.1825 -0.1374000     0.3649000 
1 1 1 21 13 14 o 5.4310  0.4596 -0.6961000     0.9191000 
1 1 1 21 13 15 o 15.210  0.2000 0.7935000      0.3999000 
1 1 1 21 13 16 o 2.7400  0.6825 -0.2906000     1.365000  
1 1 1 21 13 17 o 7.1770  0.3479 -0.5531000     0.6958000 
1 1 1 21 13 18 o 12.070  0.2839 -1.234000      0.5677000 
1 1 1 21 13 19 o 10.120  0.2827 0.6958000      0.5653000 
1 1 1 21 13 20 o 5.4290  0.5071 0.6555000      1.014000  
1 1 1 21 13 21 o 8.0480  0.3913 0.8803000E-01  0.7827000 
1 1 1 21 13 22 o 10.740  0.2301 0.9042000      0.4602000 
1 1 1 21 13 23 o 4.6860  0.4496 1.604000       0.8993000 
1 1 1 21 13 24 o 2.8370  0.5753 0.8698000      1.151000  
1 1 1 21 13 25 f 3.1500  0.6214 -0.4008000     1.243000  
1 1 1 21 13 26 o 3.8720  0.5456 -0.6972000E-01 1.091000  
1 1 1 21 13 27 o 8.8120  0.2270 0.8341000      0.4540000 
1 1 1 21 13 28 f 4.9020  0.4401 0.5260000      0.8801000 
1 1 1 21 13 29 o 5.7970  0.3822 0.5718000      0.7644000 
1 1 1 21 13 30 o 2.5380  0.6036 -1.682000      1.207000  
1 1 1 21 13 31 o 13.390  0.2678 -0.7077000E-01 0.5357000 
1 1 1 21 13 32 o 1.7960  0.5604 -0.7014000     1.121000  
1 1 1 21 13 33 o 7.2370  0.2742 0.2191000      0.5483000 
1 1 1 21 13 34 o 3.0530  0.6197 -0.7547000     1.239000  
1 1 1 21 13 35 o 7.9400  0.2837 0.8283000      0.5673000 
1 1 1 21 13 36 o 6.7000  0.2684 -0.7999000     0.5368000 
1 1 1 21 13 37 o 8.9190  0.2593 1.369000       0.5186000 
1 1 1 21 13 38 o 10.060  0.2254 -0.4281000E-01 0.4508000 
1 1 1 21 13 39 o 2.0340  0.6183 -0.7802000     1.237000  
1 1 1 21 13 40 o 5.8060  0.4996 1.218000       0.9992000 
1 1 1 21 13 41 o 4.7820  0.4551 -0.7636000     0.9101000 
1 1 1 21 13 42 o 3.4990  0.6204 0.7683000      1.241000  
1 1 1 21 13 43 o 4.6620  0.5399 0.3484000      1.080000  
1 1 1 21 13 44 o 2.7150  0.5455 1.562000       1.091000  
1 1 1 21 13 45 o 2.3310  0.5820 0.6628000      1.164000  
1 1 1 21 13 46 o 1.9980  0.5827 -0.7380000     1.165000  
1 1 1 21 13 47 o 2.0900  0.5932 -0.2307000E-01 1.186000  
1 1 1 21 13 48 o 6.4930  0.3401 1.255000       0.6802000 
1 1 1 21 13 49 o 4.0070  0.5682 -1.283000      1.136000  
1 1 1 21 13 50 o 2.3320  0.6190 0.4703000      1.238000  
1 1 1 21 13 51 o 7.6330  0.3225 -0.3651000     0.6450000 
1 1 1 21 13 52 o 2.7030  0.6228 -0.1093000E-01 1.246000  
1 1 1 21 13 53 o 1.9970  0.5903 -0.5651000E-01 1.181000  
1 1 1 21 13 54 o 1.5540  0.5147 -0.1308000     1.029000  
1 1 1 21 13 55 o 1.9050  0.5774 -0.2430000     1.155000  
1 1 1 21 13 56 o 4.6740  0.4827 0.9127000      0.9654000 
1 1 1 21 14 0  o 20.380  0.2661 0.000000       0.000000  
1 1 1 21 14 1  o 5.0870  0.5629 -0.4962000     1.126000  
1 1 1 21 14 2  o 8.3490  0.3410 -0.4847000     0.6819000 
1 1 1 21 14 3  o 12.420  0.2765 -0.3445000     0.5529000 
1 1 1 21 14 4  o 4.7100  0.7492 3.530000       1.498000  
1 1 1 21 14 5  o 2.3440  0.6921 -0.6680000     1.384000  
1 1 1 21 14 6  o 15.820  0.2444 -0.5428000     0.4889000 
1 1 1 21 14 7  o 13.710  0.2691 -0.3264000     0.5382000 
1 1 1 21 14 8  o 14.470  0.2645 0.3988000      0.5289000 
1 1 1 21 14 9  o 16.900  0.1957 0.4989000      0.3915000 
1 1 1 21 14 10 o 21.590  0.1814 -0.3257000     0.3628000 
1 1 1 21 14 11 o 14.470  0.2100 0.8542000      0.4200000 
1 1 1 21 14 12 o 5.6840  0.4801 1.097000       0.9602000 
1 1 1 21 14 13 o 17.040  0.1822 0.1686000      0.3644000 
1 1 1 21 14 14 o 10.610  0.2444 0.9062000      0.4887000 
1 1 1 21 14 15 o 2.2790  0.6411 0.1741000      1.282000  
1 1 1 21 14 16 o 4.3820  0.5694 1.002000       1.139000  
1 1 1 21 14 17 o 12.460  0.2408 -0.1636000     0.4815000 
1 1 1 21 14 18 o 5.6050  0.4691 0.4293000      0.9382000 
1 1 1 21 14 19 f 7.2300  0.3780 1.184000       0.7560000 
1 1 1 21 14 20 o 7.4540  0.3607 0.5706000      0.7214000 
1 1 1 21 14 21 o 14.600  0.1921 -0.1385000     0.3842000 
1 1 1 21 14 22 o 7.6500  0.3420 0.4556000E-01  0.6839000 
1 1 1 21 14 23 o 6.9650  0.2961 0.1628000      0.5923000 
1 1 1 21 14 24 o 10.510  0.2123 0.7646000      0.4245000 
1 1 1 21 14 25 o 3.3880  0.6164 0.3818000      1.233000  
1 1 1 21 14 26 o 7.1890  0.2928 0.3413000      0.5855000 
1 1 1 21 14 27 o 9.4910  0.2056 -0.1781000     0.4113000 
1 1 1 21 14 28 o 3.7120  0.5176 -0.8114000     1.035000  
1 1 1 21 14 29 o 10.620  0.2475 -0.7520000     0.4950000 
1 1 1 21 14 30 o 3.8220  0.6980 -1.919000      1.396000  
1 1 1 21 14 31 o 14.430  0.1819 0.6927000      0.3638000 
1 1 1 21 14 32 o 2.6500  0.6145 -0.2947000     1.229000  
1 1 1 21 14 33 o 7.9990  0.2920 1.258000       0.5841000 
1 1 1 21 14 34 o 5.6100  0.4261 0.9801000      0.8523000 
1 1 1 21 14 35 f 1.7570  0.5497 0.1419000      1.099000  
1 1 1 21 14 36 o 1.5980  0.5291 -0.4751000     1.058000  
1 1 1 21 14 37 o 7.8050  0.2970 0.7922000      0.5941000 
1 1 1 21 14 38 o 5.4120  0.5127 0.5012000      1.025000  
1 1 1 21 14 39 f 7.8230  0.3142 -0.2007000E-01 0.6284000 
1 1 1 21 14 40 o 2.1220  0.5581 0.7071000      1.116000  
1 1 1 21 14 41 o 1.8070  0.5694 -0.7336000     1.139000  
1 1 1 21 14 42 o 9.4610  0.2620 1.004000       0.5239000 
1 1 1 21 14 43 o 3.5370  0.5419 0.6895000E-01  1.084000  
1 1 1 21 14 44 o 4.3450  0.5023 1.860000       1.005000  
1 1 1 21 14 45 o 5.0640  0.4229 1.207000       0.8459000 
1 1 1 21 14 46 o 2.4320  0.5728 0.5052000      1.146000  
1 1 1 21 14 47 o 3.0280  0.5815 -0.8567000     1.163000  
1 1 1 21 14 48 o 5.8190  0.4414 1.668000       0.8827000 
1 1 1 21 14 49 f 3.1670  0.5619 1.510000       1.124000  
1 1 1 21 14 50 o 5.5150  0.4018 -0.8138000     0.8037000 
1 1 1 21 14 51 o 2.5340  0.5971 0.7453000E-01  1.194000  
1 1 1 21 14 52 o 3.9540  0.5190 0.3560000      1.038000  
1 1 1 21 14 53 o 1.9690  0.5585 -1.232000      1.117000  
1 1 1 21 14 54 o 4.1230  0.4450 -0.2409000     0.8899000 
1 1 1 21 14 55 o 3.1790  0.5362 0.3033000      1.072000  
1 1 1 21 14 56 o 3.3700  0.8787 1.261000       1.757000  
1 1 1 21 15 0  o 6.1120  0.6404 0.000000       0.000000  
1 1 1 21 15 1  o 8.7200  0.3200 0.1224000      0.6400000 
1 1 1 21 15 2  o 20.830  0.1867 0.1417000      0.3733000 
1 1 1 21 15 3  o 8.2680  0.3346 0.6088000      0.6692000 
1 1 1 21 15 4  o 6.6620  0.4663 -0.6191000     0.9327000 
1 1 1 21 15 5  o 7.8050  0.5004 0.1460000      1.001000  
1 1 1 21 15 6  f 6.5570  0.4494 1.089000       0.8988000 
1 1 1 21 15 7  o 4.0680  0.7253 -0.5060000E-01 1.451000  
1 1 1 21 15 8  o 24.460  0.2030 0.5486000      0.4060000 
1 1 1 21 15 9  o 5.8880  0.4387 1.191000       0.8774000 
1 1 1 21 15 10 o 8.2690  0.2953 0.7151000E-02  0.5906000 
1 1 1 21 15 11 o 12.030  0.2190 -0.2474000     0.4380000 
1 1 1 21 15 12 o 8.4550  0.2853 -0.8871000     0.5706000 
1 1 1 21 15 13 o 5.7490  0.4097 -0.3512000     0.8194000 
1 1 1 21 15 14 o 3.2750  0.6528 -0.1887000     1.306000  
1 1 1 21 15 15 o 4.5430  0.5412 -0.3375000     1.082000  
1 1 1 21 15 16 o 12.200  0.2426 -0.5131000E-01 0.4853000 
1 1 1 21 15 17 o 8.2900  0.3295 1.425000       0.6590000 
1 1 1 21 15 18 o 7.9940  0.3282 1.027000       0.6565000 
1 1 1 21 15 19 o 13.920  0.2115 -0.2021000     0.4230000 
1 1 1 21 15 20 o 9.9460  0.2439 0.1903000      0.4877000 
1 1 1 21 15 21 o 5.2230  0.4288 0.2347000      0.8577000 
1 1 1 21 15 22 o 4.9110  0.4915 1.331000       0.9830000 
1 1 1 21 15 23 o 12.950  0.2550 0.7055000      0.5101000 
1 1 1 21 15 24 o 5.8490  0.3699 0.3991000      0.7398000 
1 1 1 21 15 25 o 4.7920  0.4607 -2.617000      0.9215000 
1 1 1 21 15 26 o 4.2100  0.5452 1.008000       1.090000  
1 1 1 21 15 27 o 9.6520  0.2494 0.2969000      0.4987000 
1 1 1 21 15 28 o 6.1620  0.4589 -0.2219000     0.9178000 
1 1 1 21 15 29 o 7.1830  0.2985 1.247000       0.5970000 
1 1 1 21 15 30 o 5.2300  0.3988 -1.133000      0.7977000 
1 1 1 21 15 31 o 9.0270  0.2369 0.3905000      0.4738000 
1 1 1 21 15 32 o 3.1080  0.5631 0.8566000E-01  1.126000  
1 1 1 21 15 33 o 7.4370  0.2810 1.265000       0.5620000 
1 1 1 21 15 34 f 4.4610  0.5199 1.969000       1.040000  
1 1 1 21 15 35 o 2.2140  0.5527 1.017000       1.105000  
1 1 1 21 15 36 o 12.980  0.1972 0.8076000      0.3944000 
1 1 1 21 15 37 o 2.2620  0.6328 -0.2802000     1.266000  
1 1 1 21 15 38 o 4.3100  0.5342 0.1180000E-01  1.068000  
1 1 1 21 15 39 o 6.7780  0.3121 0.8127000      0.6243000 
1 1 1 21 15 40 o 5.1810  0.4489 0.9364000      0.8977000 
1 1 1 21 15 41 o 2.8840  0.6177 -0.7707000E-01 1.235000  
1 1 1 21 15 42 o 5.9620  0.3428 0.7835000      0.6857000 
1 1 1 21 15 43 o 4.1580  0.4511 -0.8447000     0.9022000 
1 1 1 21 15 44 o 2.1850  0.5807 -1.107000      1.161000  
1 1 1 21 15 45 o 8.9400  0.2235 -0.9209000E-02 0.4470000 
1 1 1 21 15 46 o 3.3680  0.5164 0.2446000      1.033000  
1 1 1 21 15 47 o 2.8900  0.7422 0.6514000      1.484000  
1 1 1 21 15 48 o 2.2790  0.6903 0.3850000E-01  1.381000  
1 1 1 21 15 49 o 2.5420  0.7155 -0.6068000     1.431000  
1 1 1 21 15 50 o 1.6130  0.5537 0.3930000      1.107000  
1 1 1 21 15 51 o 2.4080  0.6569 -0.9694000     1.314000  
1 1 1 21 15 52 o 4.3590  0.6508 -0.6569000E-01 1.302000  
1 1 1 21 15 53 o 1.9270  0.6186 -0.8732000E-01 1.237000  
1 1 1 21 15 54 o 2.9240  0.6993 0.7976000      1.399000  
1 1 1 21 15 55 o 3.4290  0.7463 1.105000       1.493000  
1 1 1 21 16 0  o 2.3880  1.2090 0.000000       0.000000  
1 1 1 21 16 1  o 13.470  0.2233 -0.2943000     0.4466000 
1 1 1 21 16 2  o 22.900  0.1798 0.7508000      0.3596000 
1 1 1 21 16 3  f 10.380  0.2639 -0.8794000     0.5278000 
1 1 1 21 16 4  o 4.6490  0.5681 1.619000       1.136000  
1 1 1 21 16 5  o 13.010  0.2481 0.4647000      0.4961000 
1 1 1 21 16 6  o 12.750  0.3206 0.4437000      0.6412000 
1 1 1 21 16 7  o 5.3270  0.5427 -0.6405000     1.085000  
1 1 1 21 16 8  o 8.0670  0.3716 -0.2886000E-01 0.7432000 
1 1 1 21 16 9  o 3.0180  0.7252 0.1718000      1.450000  
1 1 1 21 16 10 o 2.9910  0.6198 1.407000       1.240000  
1 1 1 21 16 11 o 6.5830  0.3525 -0.5912000E-01 0.7050000 
1 1 1 21 16 12 o 3.9110  0.5864 -0.1449000     1.173000  
1 1 1 21 16 13 o 4.7790  0.4820 0.3879000      0.9639000 
1 1 1 21 16 14 o 9.6800  0.2620 0.6356000      0.5240000 
1 1 1 21 16 15 o 4.0350  0.6299 0.4612000      1.260000  
1 1 1 21 16 16 o 7.1430  0.3715 1.424000       0.7430000 
1 1 1 21 16 17 o 8.2930  0.2964 -1.054000      0.5929000 
1 1 1 21 16 18 o 9.5180  0.2998 ?              ?         
1 1 1 21 16 19 o 7.1870  0.3112 0.4131000      0.6225000 
1 1 1 21 16 20 o 8.0100  0.2636 -0.3738000     0.5273000 
1 1 1 21 16 21 o 18.500  0.1910 0.9123000      0.3819000 
1 1 1 21 16 22 o 5.9730  0.3355 -0.4401000     0.6711000 
1 1 1 21 16 23 o 14.050  0.1798 -0.6498000E-02 0.3595000 
1 1 1 21 16 24 o 5.1850  0.4141 -0.3220000     0.8283000 
1 1 1 21 16 25 o 4.2310  0.5670 1.031000       1.134000  
1 1 1 21 16 26 o 12.620  0.1993 -0.1334000     0.3987000 
1 1 1 21 16 27 o 4.7210  0.5767 0.4449000      1.153000  
1 1 1 21 16 28 o 9.8640  0.2701 -0.5791000     0.5401000 
1 1 1 21 16 29 o 1.6560  0.5316 -0.2501000     1.063000  
1 1 1 21 16 30 f 2.6770  0.5072 1.397000       1.014000  
1 1 1 21 16 31 o 4.0910  0.5223 0.1971000      1.045000  
1 1 1 21 16 32 o 8.2490  0.2473 0.7053000      0.4947000 
1 1 1 21 16 33 o 8.4970  0.2284 -0.6619000     0.4567000 
1 1 1 21 16 34 o 6.0990  0.3340 -0.4960000     0.6680000 
1 1 1 21 16 35 o 2.5670  0.6023 -1.373000      1.205000  
1 1 1 21 16 36 o 4.5400  0.5670 2.048000       1.134000  
1 1 1 21 16 37 o 2.2370  0.5904 0.7504000      1.181000  
1 1 1 21 16 38 o 2.0590  0.5578 -1.757000      1.116000  
1 1 1 21 16 39 o 2.9170  0.5746 1.168000       1.149000  
1 1 1 21 16 40 o 2.3240  0.6198 -0.4704000     1.240000  
1 1 1 21 16 41 o 4.1600  0.4989 1.086000       0.9977000 
1 1 1 21 16 42 o 3.5000  0.5115 -0.4672000     1.023000  
1 1 1 21 16 43 o 4.1330  0.4433 0.1537000      0.8865000 
1 1 1 21 16 44 o 6.7860  0.4249 -0.1934000     0.8498000 
1 1 1 21 16 45 o 4.0210  0.6715 -0.3363000     1.343000  
1 1 1 21 16 46 o 2.3600  0.6960 -0.1687000     1.392000  
1 1 1 21 16 47 o 2.0570  0.6501 -0.8315000E-01 1.300000  
1 1 1 21 16 48 o 2.5840  0.7180 -0.5408000     1.436000  
1 1 1 21 16 49 o 3.0220  0.7559 0.8301000      1.512000  
1 1 1 21 16 50 o 2.2450  0.6402 1.221000       1.280000  
1 1 1 21 16 51 o 2.2200  0.6681 0.4448000E-01  1.336000  
1 1 1 21 16 52 o 2.3530  0.6903 0.5041000      1.381000  
1 1 1 21 16 53 o 2.0110  0.6407 0.5568000      1.281000  
1 1 1 21 17 0  o 16.230  0.2750 0.000000       0.000000  
1 1 1 21 17 1  o 8.6990  0.3023 -1.315000      0.6046000 
1 1 1 21 17 2  o 12.340  0.2299 0.1060000      0.4599000 
1 1 1 21 17 3  o 21.410  0.1812 0.1181000      0.3623000 
1 1 1 21 17 4  o 10.750  0.2493 0.6926000      0.4986000 
1 1 1 21 17 5  o 2.7840  0.6848 0.6134000      1.370000  
1 1 1 21 17 6  o 8.9890  0.3146 -0.7109000     0.6292000 
1 1 1 21 17 7  o 3.7060  0.7529 -0.9173000     1.506000  
1 1 1 21 17 8  o 6.1020  0.4611 -0.5599000     0.9223000 
1 1 1 21 17 9  o 5.7580  0.5285 1.253000       1.057000  
1 1 1 21 17 10 o 11.510  0.2694 0.4006000E-01  0.5389000 
1 1 1 21 17 11 o 3.3900  0.5976 1.719000       1.195000  
1 1 1 21 17 12 o 6.4260  0.3580 0.5672000      0.7160000 
1 1 1 21 17 13 o 11.820  0.2300 -0.1623000     0.4599000 
1 1 1 21 17 14 o 5.9890  0.4283 -0.5893000     0.8565000 
1 1 1 21 17 15 o 9.4030  0.2769 0.6295000      0.5539000 
1 1 1 21 17 16 o 9.9990  0.2535 0.1283000      0.5070000 
1 1 1 21 17 17 o 12.850  0.2134 -0.3431000     0.4268000 
1 1 1 21 17 18 o 5.7220  0.3722 -0.2635000     0.7444000 
1 1 1 21 17 19 o 11.420  0.1984 0.1831000      0.3967000 
1 1 1 21 17 20 o 5.0830  0.3886 -0.6220000     0.7772000 
1 1 1 21 17 21 o 2.4180  0.6105 -0.6661000     1.221000  
1 1 1 21 17 22 o 10.830  0.1998 -0.3347000     0.3996000 
1 1 1 21 17 23 o 7.5890  0.2622 -0.1755000     0.5243000 
1 1 1 21 17 24 o 5.7130  0.3352 -0.4079000     0.6704000 
1 1 1 21 17 25 o 5.6220  0.4083 -0.6312000     0.8166000 
1 1 1 21 17 26 o 9.1830  0.3135 1.144000       0.6270000 
1 1 1 21 17 27 o 2.1470  0.6353 0.1478000      1.271000  
1 1 1 21 17 28 o 7.1280  0.3805 0.4228000      0.7611000 
1 1 1 21 17 29 o 9.4540  0.2226 -0.3075000     0.4453000 
1 1 1 21 17 30 o 2.0970  0.5670 -0.5502000     1.134000  
1 1 1 21 17 31 o 5.9790  0.3568 -0.5587000     0.7136000 
1 1 1 21 17 32 o 2.5570  0.6000 0.2036000      1.200000  
1 1 1 21 17 33 o 3.1180  0.5848 0.3165000      1.170000  
1 1 1 21 17 34 f 4.7650  0.5133 1.738000       1.027000  
1 1 1 21 17 35 o 1.7590  0.5642 -0.1641000     1.128000  
1 1 1 21 17 36 o 4.8400  0.5141 1.196000       1.028000  
1 1 1 21 17 37 o 4.2140  0.5435 1.673000       1.087000  
1 1 1 21 17 38 o 4.0450  0.5028 -1.912000      1.006000  
1 1 1 21 17 39 o 4.9650  0.4045 0.4084000      0.8089000 
1 1 1 21 17 40 o 4.4750  0.6245 -2.304000      1.249000  
1 1 1 21 17 41 o 2.3070  0.6746 -0.1960000     1.349000  
1 1 1 21 17 42 o 5.0880  0.5607 -0.1240000     1.121000  
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1 1 1 21 17 46 o 2.9220  0.7014 1.765000       1.403000  
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1 1 1 21 17 48 f 1.7850  0.5945 1.156000       1.189000  
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1 1 1 21 17 50 o 2.1340  0.6574 0.7250000      1.315000  
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1 1 1 21 18 2  o 13.860  0.2082 0.3061000      0.4165000 
1 1 1 21 18 3  o 5.5080  0.4470 0.6097000      0.8940000 
1 1 1 21 18 4  o 8.8890  0.2821 -0.6516000E-01 0.5641000 
1 1 1 21 18 5  o 17.680  0.1852 0.8231000      0.3703000 
1 1 1 21 18 6  o 4.4790  0.5485 0.6329000      1.097000  
1 1 1 21 18 7  o 4.3920  0.5959 -1.156000      1.192000  
1 1 1 21 18 8  o 9.1730  0.3780 0.6740000      0.7560000 
1 1 1 21 18 9  o 9.3190  0.3461 0.8321000      0.6921000 
1 1 1 21 18 10 o 6.4000  0.4422 -0.8217000E-01 0.8844000 
1 1 1 21 18 11 o 4.1930  0.6459 0.7291000E-01  1.292000  
1 1 1 21 18 12 o 11.740  0.2503 -0.2128000     0.5006000 
1 1 1 21 18 13 o 9.8700  0.2828 0.3689000      0.5657000 
1 1 1 21 18 14 o 7.7810  0.3025 1.160000       0.6050000 
1 1 1 21 18 15 o 7.7210  0.3058 -0.4433000     0.6115000 
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1 1 1 21 18 17 o 2.1830  0.5987 0.4795000      1.197000  
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1 1 1 21 18 20 o 5.8730  0.3462 1.553000       0.6924000 
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1 1 1 21 18 24 o 13.610  0.1933 -0.7345000     0.3866000 
1 1 1 21 18 25 o 8.9260  0.3063 0.7254000E-01  0.6127000 
1 1 1 21 18 26 o 11.280  0.2037 0.8229000      0.4074000 
1 1 1 21 18 27 o 4.9810  0.4367 0.6179000      0.8733000 
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1 1 1 21 18 30 o 5.2090  0.3404 0.3899000      0.6808000 
1 1 1 21 18 31 o 2.8340  0.6080 0.1711000      1.216000  
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1 1 1 21 19 29 o 8.6600  0.3087 -0.7653000     0.6174000 
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1 1 1 21 19 36 o 6.2720  0.4499 1.336000       0.8999000 
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1 1 1 21 19 42 o 3.8900  0.7314 1.135000       1.463000  
1 1 1 21 19 43 o 3.6660  0.7544 0.4922000      1.509000  
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1 1 1 21 19 47 o 3.6760  0.7864 -0.5630000     1.573000  
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1 1 1 21 19 49 o 2.8540  0.6978 -1.429000      1.396000  
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1 1 1 21 20 0  o 14.420  0.2514 0.000000       0.000000  
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1 1 1 21 20 3  o 10.650  0.2117 0.1548000      0.4234000 
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1 1 1 21 20 5  o 4.5440  0.4612 -1.010000      0.9223000 
1 1 1 21 20 6  o 8.0880  0.2605 -1.107000      0.5209000 
1 1 1 21 20 7  o 3.8900  0.5273 2.085000       1.055000  
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1 1 1 21 20 13 o 2.5900  0.6691 0.2507000      1.338000  
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1 1 1 21 20 15 o 8.1560  0.2636 -0.1217000     0.5271000 
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1 1 1 21 20 18 o 5.1380  0.3854 0.8981000      0.7708000 
1 1 1 21 20 19 o 2.3850  0.6033 0.3925000      1.207000  
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1 1 1 21 20 22 o 7.5670  0.3412 0.6106000      0.6825000 
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1 1 1 21 20 26 f 8.2370  0.2668 -1.074000      0.5337000 
1 1 1 21 20 27 o 5.9280  0.3307 -0.9397000     0.6614000 
1 1 1 21 20 28 o 8.8970  0.2321 0.2976000      0.4643000 
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1 1 1 21 20 30 o 6.8800  0.3112 -1.026000      0.6223000 
1 1 1 21 20 31 o 2.5730  0.7832 0.5304000      1.566000  
1 1 1 21 20 32 o 6.3500  0.4796 0.3363000      0.9592000 
1 1 1 21 20 33 o 8.4040  0.2363 0.2523000      0.4725000 
1 1 1 21 20 34 o 7.4200  0.2783 -0.1911000     0.5565000 
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1 1 1 21 20 37 o 3.9080  0.6850 0.5724000      1.370000  
1 1 1 21 20 38 o 3.8330  0.7281 1.536000       1.456000  
1 1 1 21 20 39 o 6.3540  0.4566 0.7603000      0.9132000 
1 1 1 21 20 40 o 3.1570  0.7232 0.8460000      1.446000  
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1 1 1 21 20 44 o 3.5210  0.7341 -0.6967000     1.468000  
1 1 1 21 20 45 o 2.7150  0.7509 0.9469000      1.502000  
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1 1 1 22 0  31 o 14.050  0.3969 0.000000       0.000000  
1 1 1 22 0  32 o 6.0630  0.8055 0.000000       0.000000  
1 1 1 22 0  33 o 12.160  0.3503 0.000000       0.000000  
1 1 1 22 0  34 o 8.9810  0.4347 0.000000       0.000000  
1 1 1 22 0  35 o 1.2290  0.8476 0.000000       0.000000  
1 1 1 22 0  36 o 10.970  0.3663 0.000000       0.000000  
1 1 1 22 0  37 o 1.9870  1.1300 0.000000       0.000000  
1 1 1 22 0  38 o 13.730  0.3081 0.000000       0.000000  
1 1 1 22 0  39 o 3.3270  1.1360 0.000000       0.000000  
1 1 1 22 0  40 o 11.570  0.3414 0.000000       0.000000  
1 1 1 22 0  41 o 1.0800  0.7620 0.000000       0.000000  
1 1 1 22 0  42 o 3.7860  1.0170 0.000000       0.000000  
1 1 1 22 0  43 o 8.8770  0.4125 0.000000       0.000000  
1 1 1 22 0  44 o 1.3010  0.8807 0.000000       0.000000  
1 1 1 22 0  45 o 5.2270  0.8998 0.000000       0.000000  
1 1 1 22 0  46 o 8.4010  0.4385 0.000000       0.000000  
1 1 1 22 0  47 o 1.4630  0.9856 0.000000       0.000000  
1 1 1 22 0  48 o 12.790  0.4050 0.000000       0.000000  
1 1 1 22 0  49 o 6.9980  0.5120 0.000000       0.000000  
1 1 1 22 0  50 o 1.5930  1.0200 0.000000       0.000000  
1 1 1 22 0  51 o 1.0470  0.7511 0.000000       0.000000  
1 1 1 22 0  52 o 2.5660  1.2830 0.000000       0.000000  
1 1 1 22 0  53 o 1.6280  1.0290 0.000000       0.000000  
1 1 1 22 0  54 o 4.7100  0.7405 0.000000       0.000000  
1 1 1 22 0  55 o 1.2800  0.8604 0.000000       0.000000  
1 1 1 22 0  56 f 1.0300  0.7309 0.000000       0.000000  
1 1 1 22 0  57 o 1.5740  0.9892 0.000000       0.000000  
1 1 1 22 0  58 o 2.3190  1.1630 0.000000       0.000000  
1 1 1 22 0  59 o 2.9430  1.1750 0.000000       0.000000  
1 1 1 22 0  60 o 7.3120  0.5115 0.000000       0.000000  
1 1 1 22 1  0  o 21.440  0.2561 0.000000       0.000000  
1 1 1 22 1  1  o 18.570  0.1806 -0.6034000     0.3612000 
1 1 1 22 1  2  o 9.6760  0.2621 -0.7778000     0.5243000 
1 1 1 22 1  3  o 16.740  0.1818 0.4067000      0.3637000 
1 1 1 22 1  4  o 7.1900  0.3082 -0.3658000     0.6165000 
1 1 1 22 1  5  o 22.590  0.1565 -0.2744000     0.3131000 
1 1 1 22 1  6  o 6.3160  0.3699 -0.4174000     0.7397000 
1 1 1 22 1  7  o 13.540  0.2020 -0.6285000     0.4039000 
1 1 1 22 1  8  o 30.150  0.1728 0.3962000E-01  0.3456000 
1 1 1 22 1  9  o 17.060  0.1975 0.2500000E-01  0.3949000 
1 1 1 22 1  10 o 12.170  0.2394 0.2124000      0.4787000 
1 1 1 22 1  11 o 6.7460  0.5543 ?              ?         
1 1 1 22 1  12 o 9.4140  0.3258 0.3281000      0.6515000 
1 1 1 22 1  13 o 13.050  0.2571 -0.2989000     0.5142000 
1 1 1 22 1  14 o 12.450  0.2699 -0.2063000     0.5399000 
1 1 1 22 1  15 o 6.1360  0.5019 -0.3799000     1.004000  
1 1 1 22 1  16 o 21.150  0.2128 -0.1211000     0.4256000 
1 1 1 22 1  17 o 8.0620  0.3963 0.6158000      0.7926000 
1 1 1 22 1  18 o 20.280  0.2188 0.2863000      0.4376000 
1 1 1 22 1  19 o 2.6940  0.6798 1.661000       1.360000  
1 1 1 22 1  20 o 3.4840  0.8131 0.8284000      1.626000  
1 1 1 22 1  21 o 4.2830  0.8864 0.4481000      1.773000  
1 1 1 22 1  22 o 11.000  0.3453 0.5898000      0.6907000 
1 1 1 22 1  23 o 5.8620  0.6018 2.012000       1.204000  
1 1 1 22 1  24 o 18.800  0.2913 -0.4444000     0.5826000 
1 1 1 22 1  25 o 4.0360  0.7460 2.392000       1.492000  
1 1 1 22 1  27 o 8.2500  0.4166 1.148000       0.8332000 
1 1 1 22 1  28 o 3.6350  0.7812 1.054000       1.562000  
1 1 1 22 1  29 o 5.2410  0.6503 -0.5847000     1.301000  
1 1 1 22 1  30 o 19.650  0.2427 -0.6599000     0.4854000 
1 1 1 22 1  31 o 3.8680  0.7817 -0.7734000     1.563000  
1 1 1 22 1  32 o 8.2760  0.3743 -0.3900000     0.7487000 
1 1 1 22 1  33 o 4.2860  0.6268 1.298000       1.254000  
1 1 1 22 1  34 o 8.7150  0.3170 -0.6861000     0.6340000 
1 1 1 22 1  35 o 11.330  0.2548 0.7791000      0.5096000 
1 1 1 22 1  36 o 11.070  0.2560 0.3556000      0.5119000 
1 1 1 22 1  37 o 4.7120  0.5519 1.193000       1.104000  
1 1 1 22 1  38 o 6.5390  0.4003 -2.139000      0.8005000 
1 1 1 22 1  39 o 11.700  0.2418 0.3845000      0.4837000 
1 1 1 22 1  40 o 1.8850  0.5953 -0.4346000     1.191000  
1 1 1 22 1  41 o 7.6770  0.3294 1.302000       0.6588000 
1 1 1 22 1  42 o 9.3480  0.2788 0.1570000      0.5577000 
1 1 1 22 1  43 o 2.4720  0.6934 0.9638000      1.387000  
1 1 1 22 1  44 o 4.1460  0.6069 -0.4167000     1.214000  
1 1 1 22 1  45 o 2.7520  0.6853 -0.1337000     1.371000  
1 1 1 22 1  46 o 5.7370  0.5538 0.2927000E-01  1.108000  
1 1 1 22 1  47 o 2.8020  0.7523 0.1142000      1.505000  
1 1 1 22 1  48 o 4.1050  0.8344 ?              ?         
1 1 1 22 1  49 o 3.5740  0.6783 0.5150000      1.357000  
1 1 1 22 1  50 f 2.2400  0.7062 -0.6728000     1.412000  
1 1 1 22 1  51 o 4.2330  0.5995 -1.892000      1.199000  
1 1 1 22 1  52 o 2.8750  0.6597 -1.304000      1.319000  
1 1 1 22 1  53 o 1.8810  0.6023 0.5112000      1.205000  
1 1 1 22 1  54 o 5.2030  0.4667 0.1233000      0.9334000 
1 1 1 22 1  55 o 5.1510  0.5115 0.8860000E-01  1.023000  
1 1 1 22 1  56 o 2.7160  0.6689 -0.6219000     1.338000  
1 1 1 22 1  57 o 2.5580  0.6838 0.6635000      1.368000  
1 1 1 22 1  58 o 6.7330  0.4365 -1.295000      0.8731000 
1 1 1 22 1  59 o 5.0520  0.6837 ?              ?         
1 1 1 22 1  60 o 5.3890  0.5758 0.7325000      1.152000  
1 1 1 22 2  0  o 1.3850  0.9024 0.000000       0.000000  
1 1 1 22 2  1  o 25.220  0.1560 0.1732000      0.3120000 
1 1 1 22 2  2  f 4.4390  0.5465 0.6259000      1.093000  
1 1 1 22 2  3  o 16.070  0.2095 -0.9126000E-01 0.4190000 
1 1 1 22 2  4  o 8.5170  0.3067 0.6179000      0.6133000 
1 1 1 22 2  5  o 23.410  0.1694 0.6101000E-01  0.3388000 
1 1 1 22 2  6  o 3.9460  0.5941 0.6611000      1.188000  
1 1 1 22 2  7  o 8.5040  0.2862 -0.3293000     0.5724000 
1 1 1 22 2  8  o 11.820  0.2696 1.372000       0.5391000 
1 1 1 22 2  9  o 17.060  0.2090 -0.4749000     0.4180000 
1 1 1 22 2  10 o 20.350  0.1974 0.5842000E-01  0.3948000 
1 1 1 22 2  11 o 11.790  0.2745 -0.6311000     0.5490000 
1 1 1 22 2  12 o 15.300  0.2386 -0.2037000E-01 0.4772000 
1 1 1 22 2  13 o 22.200  0.2105 -0.5092000E-01 0.4211000 
1 1 1 22 2  14 o 12.700  0.2703 -0.6659000     0.5405000 
1 1 1 22 2  15 o 15.500  0.2134 -0.2156000     0.4267000 
1 1 1 22 2  16 o 18.660  0.1957 0.2169000      0.3915000 
1 1 1 22 2  17 o 6.3060  0.4398 0.6364000      0.8795000 
1 1 1 22 2  18 o 11.500  0.2571 -0.3555000     0.5142000 
1 1 1 22 2  19 o 6.1500  0.6720 -1.063000      1.344000  
1 1 1 22 2  20 o 14.890  0.3408 -1.186000      0.6816000 
1 1 1 22 2  21 o 4.3410  0.8011 2.281000       1.602000  
1 1 1 22 2  22 o 9.5860  0.3784 -1.173000      0.7568000 
1 1 1 22 2  23 o 11.260  0.4362 ?              ?         
1 1 1 22 2  24 o 11.870  0.3700 0.8559000      0.7401000 
1 1 1 22 2  25 o 4.4010  0.8372 -0.3006000     1.674000  
1 1 1 22 2  26 o 12.170  0.2843 0.6463000E-01  0.5686000 
1 1 1 22 2  27 o 8.8660  0.3561 -0.4030000     0.7122000 
1 1 1 22 2  28 o 10.470  0.3402 0.3022000      0.6803000 
1 1 1 22 2  29 o 4.6300  0.7131 0.8746000      1.426000  
1 1 1 22 2  30 o 8.9430  0.3880 -0.3281000     0.7761000 
1 1 1 22 2  31 o 3.0400  0.7316 1.533000       1.463000  
1 1 1 22 2  32 o 2.3470  0.7020 0.6716000      1.404000  
1 1 1 22 2  33 o 3.2090  0.7416 1.365000       1.483000  
1 1 1 22 2  34 o 8.3160  0.3263 0.1678000      0.6526000 
1 1 1 22 2  35 o 7.4860  0.3561 0.2932000      0.7122000 
1 1 1 22 2  36 o 7.5330  0.3484 0.4248000      0.6968000 
1 1 1 22 2  37 o 1.7850  0.5805 0.2204000      1.161000  
1 1 1 22 2  38 o 2.4900  0.6706 0.5898000      1.341000  
1 1 1 22 2  39 o 7.4180  0.3459 -0.1198000     0.6917000 
1 1 1 22 2  40 o 1.7510  0.5685 0.4710000      1.137000  
1 1 1 22 2  41 o 4.8810  0.5157 0.7871000      1.031000  
1 1 1 22 2  42 o 2.6910  0.7023 -0.5863000     1.405000  
1 1 1 22 2  43 o 1.8840  0.5920 -0.6100000     1.184000  
1 1 1 22 2  44 o 6.2630  0.3928 -0.5661000     0.7855000 
1 1 1 22 2  45 o 3.4060  0.6636 -0.2199000     1.327000  
1 1 1 22 2  46 o 2.0210  0.6350 0.1279000      1.270000  
1 1 1 22 2  47 o 4.9300  0.7669 -2.116000      1.534000  
1 1 1 22 2  48 o 5.5870  0.5102 0.6655000E-02  1.020000  
1 1 1 22 2  49 o 6.9370  0.5615 1.766000       1.123000  
1 1 1 22 2  50 o 4.3030  0.6302 -2.413000      1.260000  
1 1 1 22 2  51 o 2.2020  0.6575 -1.187000      1.315000  
1 1 1 22 2  52 o 5.0640  0.5813 0.8507000      1.163000  
1 1 1 22 2  53 o 2.8950  0.7117 -1.096000      1.423000  
1 1 1 22 2  54 o 4.5900  0.6037 -0.6233000E-02 1.207000  
1 1 1 22 2  55 o 4.3700  0.6705 1.246000       1.341000  
1 1 1 22 2  56 o 6.1360  0.4518 0.9792000      0.9036000 
1 1 1 22 2  57 o 4.2640  0.5933 3.390000       1.187000  
1 1 1 22 2  58 f 4.8910  0.5048 -0.2953000E-01 1.010000  
1 1 1 22 2  59 o 4.4380  0.5779 1.113000       1.156000  
1 1 1 22 2  60 o 2.7030  0.6472 1.359000       1.294000  
1 1 1 22 3  0  o 1.2970  0.8588 0.000000       0.000000  
1 1 1 22 3  1  o 19.940  0.1588 -0.7230000     0.3175000 
1 1 1 22 3  2  o 13.880  0.1984 0.8419000E-02  0.3967000 
1 1 1 22 3  3  o 19.050  0.1846 -0.3113000     0.3693000 
1 1 1 22 3  4  o 15.660  0.2248 -0.8671000     0.4496000 
1 1 1 22 3  5  o 8.6060  0.2889 -1.053000      0.5778000 
1 1 1 22 3  6  o 9.9400  0.2706 0.7221000E-01  0.5412000 
1 1 1 22 3  7  o 10.730  0.2745 0.3755000      0.5489000 
1 1 1 22 3  8  o 9.0170  0.3093 0.3395000      0.6185000 
1 1 1 22 3  9  o 4.7730  0.5768 -0.4307000E-01 1.154000  
1 1 1 22 3  10 o 21.540  0.1976 -0.5598000E-01 0.3953000 
1 1 1 22 3  11 o 9.7570  0.3043 0.8118000      0.6086000 
1 1 1 22 3  12 o 11.060  0.2402 -0.7358000     0.4804000 
1 1 1 22 3  13 o 13.570  0.2260 0.2826000E-01  0.4521000 
1 1 1 22 3  14 o 11.220  0.2604 -0.2513000     0.5208000 
1 1 1 22 3  15 o 12.470  0.2418 -0.5143000     0.4836000 
1 1 1 22 3  16 o 19.450  0.1947 0.2278000      0.3894000 
1 1 1 22 3  17 o 8.0430  0.3930 -1.186000      0.7859000 
1 1 1 22 3  18 o 14.070  0.3509 1.369000       0.7019000 
1 1 1 22 3  19 o 24.690  0.2725 -0.2876000E-01 0.5451000 
1 1 1 22 3  20 o 21.600  0.2959 0.1814000      0.5918000 
1 1 1 22 3  21 o 10.570  0.4435 0.1637000E-02  0.8871000 
1 1 1 22 3  22 o 5.7820  0.6124 1.434000       1.225000  
1 1 1 22 3  23 o 6.1420  0.5480 -0.1951000     1.096000  
1 1 1 22 3  24 o 4.9390  1.2750 ?              ?         
1 1 1 22 3  25 o 10.790  0.3930 -1.139000      0.7859000 
1 1 1 22 3  26 o 10.500  0.3185 0.2640000      0.6370000 
1 1 1 22 3  27 o 12.930  0.2698 -0.4759000E-01 0.5397000 
1 1 1 22 3  28 o 7.2530  0.4265 -1.780000      0.8529000 
1 1 1 22 3  29 o 22.270  0.2156 0.5677000      0.4311000 
1 1 1 22 3  30 o 13.950  0.2546 -0.6407000E-01 0.5092000 
1 1 1 22 3  31 o 7.9960  0.3855 -0.1960000E-01 0.7711000 
1 1 1 22 3  32 o 10.410  0.3100 0.8019000      0.6200000 
1 1 1 22 3  33 o 2.9470  0.7051 -1.348000      1.410000  
1 1 1 22 3  34 o 9.4070  0.2940 0.6428000E-01  0.5880000 
1 1 1 22 3  35 o 7.3140  0.3672 1.084000       0.7344000 
1 1 1 22 3  36 o 8.2710  0.3181 0.9787000E-01  0.6362000 
1 1 1 22 3  37 o 4.5920  0.5593 0.6346000      1.119000  
1 1 1 22 3  38 o 4.8070  0.5189 0.1336000      1.038000  
1 1 1 22 3  39 o 6.5660  0.3849 -0.7232000     0.7698000 
1 1 1 22 3  40 o 1.7530  0.5714 -0.2272000     1.143000  
1 1 1 22 3  41 o 7.1850  0.3958 0.3686000      0.7915000 
1 1 1 22 3  42 o 2.9270  0.6889 -0.5192000     1.378000  
1 1 1 22 3  43 o 4.8770  0.5168 0.4014000      1.034000  
1 1 1 22 3  44 o 8.3060  0.3126 -0.5432000     0.6252000 
1 1 1 22 3  45 o 4.3430  0.6746 1.739000       1.349000  
1 1 1 22 3  46 o 4.2360  0.6720 1.926000       1.344000  
1 1 1 22 3  47 o 5.4210  0.7331 1.029000       1.466000  
1 1 1 22 3  48 o 1.8910  0.8256 ?              ?         
1 1 1 22 3  49 o 2.3560  0.9333 ?              ?         
1 1 1 22 3  50 o 6.0950  0.4028 0.6004000      0.8056000 
1 1 1 22 3  51 o 3.3800  0.5889 -2.539000      1.178000  
1 1 1 22 3  52 o 6.4220  0.3930 0.4929000      0.7861000 
1 1 1 22 3  53 o 5.7150  0.4205 0.5075000      0.8410000 
1 1 1 22 3  54 o 4.1570  0.5672 -0.7677000E-01 1.134000  
1 1 1 22 3  55 o 5.5960  0.4236 0.2048000      0.8473000 
1 1 1 22 3  56 o 2.3080  0.6614 0.6912000      1.323000  
1 1 1 22 3  57 o 6.8990  0.3713 -0.1843000     0.7427000 
1 1 1 22 3  58 o 6.2240  0.4024 0.4005000      0.8047000 
1 1 1 22 3  59 o 3.3020  0.6398 -1.081000      1.280000  
1 1 1 22 3  60 o 2.9030  0.6742 0.3249000      1.348000  
1 1 1 22 4  0  o 2.1970  1.1430 0.000000       0.000000  
1 1 1 22 4  1  o 15.430  0.1849 -0.5116000E-01 0.3698000 
1 1 1 22 4  2  f 6.0420  0.3875 0.3097000      0.7751000 
1 1 1 22 4  3  o 16.630  0.1823 0.4519000E-01  0.3645000 
1 1 1 22 4  4  o 11.740  0.2235 -0.6777000     0.4470000 
1 1 1 22 4  5  o 9.3140  0.2884 0.2467000      0.5768000 
1 1 1 22 4  6  o 12.110  0.3252 1.504000       0.6504000 
1 1 1 22 4  7  o 21.920  0.2067 -0.3994000     0.4133000 
1 1 1 22 4  8  o 10.550  0.2898 -0.6197000     0.5796000 
1 1 1 22 4  9  o 24.430  0.1948 -0.1960000     0.3897000 
1 1 1 22 4  10 o 6.2400  0.4339 1.498000       0.8677000 
1 1 1 22 4  11 o 9.6050  0.2755 1.396000       0.5509000 
1 1 1 22 4  12 o 32.100  0.1915 0.1478000      0.3830000 
1 1 1 22 4  13 o 6.1260  0.4371 -0.6120000     0.8743000 
1 1 1 22 4  14 o 6.8990  0.4501 -2.082000      0.9002000 
1 1 1 22 4  15 o 14.280  0.2508 0.2909000      0.5017000 
1 1 1 22 4  16 o 4.3960  0.6937 -1.013000      1.387000  
1 1 1 22 4  17 o 27.150  0.2722 0.5402000      0.5444000 
1 1 1 22 4  18 o 8.1650  0.5908 1.782000       1.182000  
1 1 1 22 4  19 o 6.2130  0.7648 2.683000       1.530000  
1 1 1 22 4  20 o 6.4180  0.7036 -0.2149000     1.407000  
1 1 1 22 4  21 o 2.4120  0.7320 0.4773000      1.464000  
1 1 1 22 4  22 o 8.8080  0.3883 0.4710000      0.7765000 
1 1 1 22 4  23 o 16.300  0.3077 0.2272000E-01  0.6154000 
1 1 1 22 4  24 o 9.2570  0.4691 1.606000       0.9383000 
1 1 1 22 4  25 o 12.880  0.3609 1.364000       0.7218000 
1 1 1 22 4  26 o 15.940  0.2411 -0.2362000     0.4822000 
1 1 1 22 4  27 o 21.260  0.2177 -0.4967000     0.4354000 
1 1 1 22 4  28 o 5.4830  0.5885 0.7208000      1.177000  
1 1 1 22 4  29 o 12.050  0.2819 -0.5792000     0.5637000 
1 1 1 22 4  30 o 8.4880  0.3320 -0.7171000E-01 0.6639000 
1 1 1 22 4  31 o 9.1430  0.3467 0.5310000      0.6934000 
1 1 1 22 4  32 o 11.530  0.2823 -0.4994000     0.5645000 
1 1 1 22 4  33 o 6.7690  0.4839 0.6180000E-03  0.9678000 
1 1 1 22 4  34 o 8.9180  0.3434 -0.2079000     0.6869000 
1 1 1 22 4  35 o 3.5580  0.6894 1.337000       1.379000  
1 1 1 22 4  36 o 4.5280  0.6254 -0.6885000     1.251000  
1 1 1 22 4  37 o 3.0310  0.7354 -0.9882000E-01 1.471000  
1 1 1 22 4  38 o 16.740  0.2248 0.5527000E-01  0.4496000 
1 1 1 22 4  39 o 4.2850  0.6537 -0.3465000     1.307000  
1 1 1 22 4  40 o 3.2780  0.7032 -2.095000      1.406000  
1 1 1 22 4  41 o 3.0040  0.6742 1.205000       1.348000  
1 1 1 22 4  42 o 2.8330  0.7129 -0.9154000     1.426000  
1 1 1 22 4  43 o 5.7670  0.4339 -0.8323000     0.8677000 
1 1 1 22 4  44 o 4.7170  0.5485 1.381000       1.097000  
1 1 1 22 4  45 o 4.6500  0.5857 0.8668000E-01  1.171000  
1 1 1 22 4  46 o 2.7160  0.7135 0.8471000      1.427000  
1 1 1 22 4  47 o 8.7200  0.3160 -0.1521000     0.6320000 
1 1 1 22 4  48 o 2.7660  0.6758 1.209000       1.352000  
1 1 1 22 4  49 o 2.7550  0.9098 ?              ?         
1 1 1 22 4  50 o 2.4470  0.6520 0.2808000      1.304000  
1 1 1 22 4  51 o 8.7550  0.3041 0.5967000      0.6083000 
1 1 1 22 4  52 o 2.4320  0.6703 -0.2699000E-01 1.341000  
1 1 1 22 4  53 o 5.6580  0.3911 -1.578000      0.7822000 
1 1 1 22 4  54 o 2.1230  0.6040 0.4465000      1.208000  
1 1 1 22 4  55 o 2.0670  0.5915 0.8814000      1.183000  
1 1 1 22 4  56 o 3.4080  0.6094 1.157000       1.219000  
1 1 1 22 4  57 o 8.8110  0.2988 0.5268000E-01  0.5975000 
1 1 1 22 4  58 o 3.1780  0.6545 0.8409000      1.309000  
1 1 1 22 4  59 o 3.5190  0.6521 -1.112000      1.304000  
1 1 1 22 4  60 o 4.1230  0.5827 -0.2537000     1.165000  
1 1 1 22 5  0  o 5.4800  0.6450 0.000000       0.000000  
1 1 1 22 5  1  o 19.760  0.1808 -0.4807000     0.3615000 
1 1 1 22 5  2  o 14.120  0.2085 0.3109000E-03  0.4170000 
1 1 1 22 5  3  o 9.6580  0.2586 0.9434000      0.5172000 
1 1 1 22 5  4  o 9.9730  0.2535 -0.9552000     0.5070000 
1 1 1 22 5  5  o 9.3160  0.3643 ?              ?         
1 1 1 22 5  6  o 30.410  0.2078 -0.3071000     0.4156000 
1 1 1 22 5  7  o 13.220  0.3335 -0.1259000     0.6669000 
1 1 1 22 5  8  o 10.400  0.3008 -1.378000      0.6015000 
1 1 1 22 5  9  o 6.8870  0.3809 0.3195000      0.7619000 
1 1 1 22 5  10 o 10.990  0.2671 0.8345000      0.5341000 
1 1 1 22 5  11 o 5.1940  0.5311 0.6664000      1.062000  
1 1 1 22 5  12 o 15.480  0.2142 0.4473000      0.4285000 
1 1 1 22 5  13 o 3.2970  0.7600 0.1731000      1.520000  
1 1 1 22 5  14 o 12.840  0.2690 -0.5026000     0.5380000 
1 1 1 22 5  15 o 9.1830  0.3091 0.4908000      0.6182000 
1 1 1 22 5  16 o 9.0800  0.4801 -0.8034000     0.9601000 
1 1 1 22 5  17 o 13.270  0.3670 0.3665000      0.7339000 
1 1 1 22 5  18 o 14.050  0.3705 -0.5199000     0.7410000 
1 1 1 22 5  19 o 12.160  0.4033 1.257000       0.8066000 
1 1 1 22 5  20 o 12.130  0.3139 0.1317000      0.6279000 
1 1 1 22 5  21 o 6.9940  0.5492 0.1436000      1.098000  
1 1 1 22 5  22 o 3.7500  0.7435 1.524000       1.487000  
1 1 1 22 5  23 f 3.0190  0.7318 1.684000       1.464000  
1 1 1 22 5  24 o 5.3440  0.7191 -3.334000      1.438000  
1 1 1 22 5  25 o 4.7940  0.6730 1.248000       1.346000  
1 1 1 22 5  26 o 17.240  0.2333 0.2212000      0.4666000 
1 1 1 22 5  27 o 7.4990  0.4383 1.498000       0.8767000 
1 1 1 22 5  28 o 21.030  0.2174 -0.5724000E-02 0.4348000 
1 1 1 22 5  29 o 13.850  0.2579 0.7841000E-01  0.5158000 
1 1 1 22 5  30 o 15.030  0.2246 -0.1397000E-01 0.4492000 
1 1 1 22 5  31 o 9.0980  0.3186 -0.2076000E-01 0.6373000 
1 1 1 22 5  32 o 8.6330  0.3266 -0.7150000     0.6531000 
1 1 1 22 5  33 o 2.6580  0.6638 1.243000       1.328000  
1 1 1 22 5  34 f 1.8800  0.5948 0.5693000      1.190000  
1 1 1 22 5  35 o 4.2040  0.5936 2.584000       1.187000  
1 1 1 22 5  36 o 3.7190  0.6983 -1.211000      1.397000  
1 1 1 22 5  37 o 1.6820  0.5677 0.6780000      1.135000  
1 1 1 22 5  38 o 4.7270  0.6255 -2.164000      1.251000  
1 1 1 22 5  39 o 9.9780  0.3098 1.575000       0.6197000 
1 1 1 22 5  40 o 6.0490  0.4781 -0.5885000     0.9562000 
1 1 1 22 5  41 o 2.6650  0.7228 0.3586000      1.446000  
1 1 1 22 5  42 o 9.7850  0.3107 0.6398000      0.6213000 
1 1 1 22 5  43 o 6.8980  0.4308 -1.498000      0.8616000 
1 1 1 22 5  44 o 5.5250  0.7453 0.1481000      1.491000  
1 1 1 22 5  45 o 5.0170  0.7581 0.3010000      1.516000  
1 1 1 22 5  46 o 3.5090  0.6503 -2.460000      1.301000  
1 1 1 22 5  47 o 3.8160  0.7369 -0.9748000     1.474000  
1 1 1 22 5  48 o 2.2520  0.7089 0.3267000      1.418000  
1 1 1 22 5  49 o 7.7050  0.3257 0.7244000      0.6515000 
1 1 1 22 5  50 o 3.2520  0.6041 1.616000       1.208000  
1 1 1 22 5  51 o 3.8300  0.5914 0.3238000      1.183000  
1 1 1 22 5  52 o 1.8620  0.5696 -0.7190000     1.139000  
1 1 1 22 5  53 o 2.2330  0.6167 -0.4098000     1.233000  
1 1 1 22 5  54 o 2.8520  0.5837 1.544000       1.167000  
1 1 1 22 5  55 o 2.2410  0.6091 0.6609000      1.218000  
1 1 1 22 5  56 o 6.0110  0.4711 2.467000       0.9421000 
1 1 1 22 5  57 o 1.9080  0.5894 -0.3771000     1.179000  
1 1 1 22 5  58 o 5.9790  0.3896 -0.3339000     0.7792000 
1 1 1 22 5  59 o 6.2170  0.4085 0.5683000      0.8170000 
1 1 1 22 5  60 o 1.7310  0.5696 -0.3244000     1.139000  
1 1 1 22 6  0  o 14.660  0.2928 0.000000       0.000000  
1 1 1 22 6  1  f 13.800  0.2140 -0.1823000     0.4281000 
1 1 1 22 6  2  o 8.8030  0.2929 -0.6796000E-01 0.5858000 
1 1 1 22 6  3  o 13.850  0.2127 0.5741000      0.4254000 
1 1 1 22 6  4  f 5.4220  0.5617 2.985000       1.123000  
1 1 1 22 6  5  o 10.090  0.3044 0.4350000      0.6088000 
1 1 1 22 6  6  o 15.990  0.2175 0.3156000      0.4350000 
1 1 1 22 6  7  o 25.010  0.1965 0.9400000      0.3930000 
1 1 1 22 6  8  f 9.3580  0.2950 0.8624000E-01  0.5901000 
1 1 1 22 6  9  o 16.450  0.2283 -0.8861000     0.4566000 
1 1 1 22 6  10 o 6.0760  0.5204 0.4700000      1.041000  
1 1 1 22 6  11 o 15.670  0.3083 0.3067000      0.6167000 
1 1 1 22 6  12 o 9.2990  0.3496 -1.921000      0.6992000 
1 1 1 22 6  13 o 3.2140  0.7051 1.518000       1.410000  
1 1 1 22 6  14 f 2.1290  0.6424 -1.054000      1.285000  
1 1 1 22 6  15 o 11.900  0.2826 -1.239000      0.5652000 
1 1 1 22 6  16 o 8.1030  0.3837 -0.4383000     0.7674000 
1 1 1 22 6  17 o 6.9510  0.4445 0.3324000      0.8891000 
1 1 1 22 6  18 o 10.820  0.4281 -0.3463000     0.8562000 
1 1 1 22 6  19 o 8.2860  0.4382 1.992000       0.8763000 
1 1 1 22 6  20 o 6.6940  0.5912 -1.254000      1.182000  
1 1 1 22 6  21 o 24.640  0.2645 0.3384000      0.5291000 
1 1 1 22 6  22 o 10.700  0.3300 -1.153000      0.6600000 
1 1 1 22 6  23 o 3.0180  0.8095 0.4046000      1.619000  
1 1 1 22 6  24 o 3.6400  0.8426 -0.4297000     1.685000  
1 1 1 22 6  25 o 7.6150  0.4230 1.147000       0.8460000 
1 1 1 22 6  26 o 12.010  0.2863 0.3869000      0.5726000 
1 1 1 22 6  27 o 12.500  0.2755 0.2664000      0.5510000 
1 1 1 22 6  28 o 7.7290  0.4077 0.5053000      0.8154000 
1 1 1 22 6  29 o 8.7070  0.3242 0.4751000      0.6485000 
1 1 1 22 6  30 o 6.7450  0.4061 -0.5059000     0.8121000 
1 1 1 22 6  31 o 18.380  0.2030 0.2974000      0.4060000 
1 1 1 22 6  32 o 4.2470  0.6352 0.1097000E-01  1.270000  
1 1 1 22 6  33 o 7.2780  0.3767 1.200000       0.7534000 
1 1 1 22 6  34 o 2.8650  0.6800 0.8166000      1.360000  
1 1 1 22 6  35 o 4.5130  0.5385 -2.699000      1.077000  
1 1 1 22 6  36 o 3.0490  0.6639 -0.1467000     1.328000  
1 1 1 22 6  37 o 5.6470  0.4129 -0.4418000     0.8257000 
1 1 1 22 6  38 o 2.8730  0.6873 -0.6024000     1.375000  
1 1 1 22 6  39 o 2.8000  0.6882 -0.2994000     1.376000  
1 1 1 22 6  40 o 9.7150  0.2739 0.2069000      0.5478000 
1 1 1 22 6  41 f 4.4670  0.5590 0.6375000      1.118000  
1 1 1 22 6  42 o 8.9690  0.2935 0.5081000      0.5869000 
1 1 1 22 6  43 o 6.5380  0.4946 1.424000       0.9893000 
1 1 1 22 6  44 o 4.5260  0.6269 1.010000       1.254000  
1 1 1 22 6  45 o 6.5060  0.3491 1.375000       0.6982000 
1 1 1 22 6  46 o 3.7910  0.5928 1.067000       1.186000  
1 1 1 22 6  47 o 2.7530  0.6535 -0.8945000     1.307000  
1 1 1 22 6  48 o 3.0450  0.6285 -1.760000      1.257000  
1 1 1 22 6  49 f 3.6680  0.6006 1.351000       1.201000  
1 1 1 22 6  50 o 2.2170  0.6081 -0.6939000     1.216000  
1 1 1 22 6  51 o 1.8220  0.5994 -0.2711000     1.199000  
1 1 1 22 6  52 o 3.3620  0.7362 -0.3067000     1.472000  
1 1 1 22 6  53 o 2.8130  0.6676 2.005000       1.335000  
1 1 1 22 6  54 o 3.5770  0.6534 2.168000       1.307000  
1 1 1 22 6  55 o 3.3360  0.6995 -0.3112000     1.399000  
1 1 1 22 6  56 o 3.7510  0.6904 -0.6796000E-01 1.381000  
1 1 1 22 6  57 o 2.8060  0.6918 -0.7627000     1.384000  
1 1 1 22 6  58 o 2.4540  0.6301 0.6969000      1.260000  
1 1 1 22 6  59 o 5.5680  0.4137 0.2259000      0.8275000 
1 1 1 22 7  0  f 24.710  0.2567 0.000000       0.000000  
1 1 1 22 7  1  o 7.4590  0.4049 -0.6967000E-01 0.8099000 
1 1 1 22 7  2  o 3.9450  0.6487 2.437000       1.297000  
1 1 1 22 7  3  o 8.5790  0.3080 -0.6162000     0.6160000 
1 1 1 22 7  4  o 6.8710  0.4494 -1.228000      0.8988000 
1 1 1 22 7  5  o 7.2680  0.4188 -0.6041000     0.8377000 
1 1 1 22 7  6  o 9.8240  0.3195 -0.3592000E-01 0.6391000 
1 1 1 22 7  7  o 4.9430  0.5605 1.446000       1.121000  
1 1 1 22 7  8  o 12.480  0.2221 0.7481000      0.4442000 
1 1 1 22 7  9  o 12.740  0.2776 0.3684000      0.5553000 
1 1 1 22 7  10 o 3.1430  0.7860 -1.381000      1.572000  
1 1 1 22 7  11 o 9.9810  0.3513 0.1117000      0.7025000 
1 1 1 22 7  12 o 3.2350  0.7570 -0.6180000E-01 1.514000  
1 1 1 22 7  13 o 23.810  0.2083 0.2466000E-01  0.4167000 
1 1 1 22 7  14 o 5.3570  0.6132 1.544000       1.226000  
1 1 1 22 7  15 o 18.900  0.2188 0.3222000      0.4377000 
1 1 1 22 7  16 o 17.130  0.2317 0.8467000E-01  0.4633000 
1 1 1 22 7  17 o 22.050  0.2123 0.1030000E-01  0.4247000 
1 1 1 22 7  18 o 14.720  0.2236 0.4336000      0.4472000 
1 1 1 22 7  19 o 25.020  0.2623 0.8622000      0.5246000 
1 1 1 22 7  20 o 11.190  0.3602 -0.1786000     0.7203000 
1 1 1 22 7  21 o 3.7940  0.7080 -2.737000      1.416000  
1 1 1 22 7  22 o 11.040  0.3832 -1.942000      0.7663000 
1 1 1 22 7  23 o 14.090  0.3492 -1.598000      0.6984000 
1 1 1 22 7  24 o 13.480  0.2727 0.7021000      0.5454000 
1 1 1 22 7  25 o 12.250  0.2804 0.1795000E-01  0.5608000 
1 1 1 22 7  26 o 9.8020  0.3263 -0.5361000     0.6525000 
1 1 1 22 7  27 o 10.860  0.3165 -1.380000      0.6330000 
1 1 1 22 7  28 o 8.6380  0.3272 0.7905000      0.6543000 
1 1 1 22 7  29 o 5.8920  0.4892 1.466000       0.9785000 
1 1 1 22 7  30 o 9.3030  0.3042 -0.4011000     0.6084000 
1 1 1 22 7  31 o 3.1680  0.7103 0.3439000      1.421000  
1 1 1 22 7  32 o 3.1650  0.7078 0.1706000      1.416000  
1 1 1 22 7  33 o 6.1330  0.4467 1.360000       0.8933000 
1 1 1 22 7  34 o 4.8470  0.5376 -0.9639000     1.075000  
1 1 1 22 7  35 o 7.9880  0.3258 -0.9866000     0.6517000 
1 1 1 22 7  36 o 3.2010  0.6504 -1.284000      1.301000  
1 1 1 22 7  37 f 2.0600  0.6176 -0.3272000     1.235000  
1 1 1 22 7  38 o 2.9110  0.6146 -0.9757000     1.229000  
1 1 1 22 7  39 o 7.2730  0.3126 -0.3618000     0.6252000 
1 1 1 22 7  40 o 10.550  0.2339 0.3155000      0.4679000 
1 1 1 22 7  41 o 3.7510  0.5902 0.8367000      1.180000  
1 1 1 22 7  42 o 2.4700  0.5609 1.856000       1.122000  
1 1 1 22 7  43 o 3.3000  0.7233 -0.1182000     1.447000  
1 1 1 22 7  44 o 2.2980  0.6603 -0.3328000     1.321000  
1 1 1 22 7  45 o 5.8630  0.3860 -0.6969000     0.7720000 
1 1 1 22 7  46 o 3.1780  0.6393 -0.3324000     1.279000  
1 1 1 22 7  47 o 2.5020  0.6499 -0.6729000     1.300000  
1 1 1 22 7  48 o 2.4410  0.6157 -1.702000      1.231000  
1 1 1 22 7  49 o 2.5360  0.5989 1.176000       1.198000  
1 1 1 22 7  50 o 2.1050  0.5978 0.2301000      1.196000  
1 1 1 22 7  51 o 4.3990  0.4982 -1.358000      0.9964000 
1 1 1 22 7  52 o 2.3190  0.6383 -0.2985000     1.277000  
1 1 1 22 7  53 o 2.1680  0.5921 0.5852000      1.184000  
1 1 1 22 7  54 o 7.5770  0.2848 -0.6356000     0.5695000 
1 1 1 22 7  55 o 5.8980  0.3671 0.4757000      0.7342000 
1 1 1 22 7  56 o 4.9600  0.4294 -0.5948000E-01 0.8587000 
1 1 1 22 7  57 o 2.0180  0.5745 0.8736000      1.149000  
1 1 1 22 7  58 o 1.7330  0.5559 -0.2229000     1.112000  
1 1 1 22 7  59 o 2.8780  0.5762 1.994000       1.152000  
1 1 1 22 8  0  o 1.5880  1.0150 0.000000       0.000000  
1 1 1 22 8  1  o 16.010  0.2052 -0.4340000E-01 0.4105000 
1 1 1 22 8  2  o 26.620  0.1832 0.2185000      0.3665000 
1 1 1 22 8  3  o 12.400  0.2386 -0.2806000E-01 0.4773000 
1 1 1 22 8  4  o 10.0000 0.3191 0.9849000E-02  0.6382000 
1 1 1 22 8  5  o 9.3470  0.3391 -0.7880000E-01 0.6782000 
1 1 1 22 8  6  o 12.100  0.2788 -0.3327000     0.5575000 
1 1 1 22 8  7  o 2.7010  0.7324 -0.7297000     1.465000  
1 1 1 22 8  8  o 12.680  0.3844 0.1555000      0.7689000 
1 1 1 22 8  9  o 17.760  0.3168 0.7523000      0.6336000 
1 1 1 22 8  10 o 13.530  0.2824 0.8996000      0.5648000 
1 1 1 22 8  11 o 17.200  0.2286 0.6030000E-01  0.4572000 
1 1 1 22 8  12 f 14.630  0.2645 0.8913000      0.5290000 
1 1 1 22 8  13 o 20.140  0.2188 0.1355000      0.4376000 
1 1 1 22 8  14 o 12.760  0.3133 1.137000       0.6265000 
1 1 1 22 8  15 o 6.5120  0.4870 -2.786000      0.9740000 
1 1 1 22 8  16 o 10.900  0.2715 0.1263000      0.5430000 
1 1 1 22 8  17 o 9.9060  0.2914 -0.5336000     0.5827000 
1 1 1 22 8  18 f 11.960  0.3085 -0.9602000     0.6171000 
1 1 1 22 8  19 o 8.0400  0.4105 1.770000       0.8211000 
1 1 1 22 8  20 o 9.5850  0.3509 0.7178000      0.7019000 
1 1 1 22 8  21 o 13.240  0.2888 0.6731000      0.5777000 
1 1 1 22 8  22 o 6.1240  0.6819 0.8060000      1.364000  
1 1 1 22 8  23 o 4.3360  0.7407 2.012000       1.481000  
1 1 1 22 8  24 o 16.770  0.2394 1.501000       0.4789000 
1 1 1 22 8  25 o 13.220  0.2672 0.2954000      0.5345000 
1 1 1 22 8  26 o 9.3820  0.3437 0.7462000      0.6874000 
1 1 1 22 8  27 o 4.5110  0.6672 0.7713000      1.334000  
1 1 1 22 8  28 o 9.7540  0.2949 0.4933000      0.5897000 
1 1 1 22 8  29 o 1.9190  0.6169 -0.1961000     1.234000  
1 1 1 22 8  30 o 8.6590  0.3248 0.1941000      0.6496000 
1 1 1 22 8  31 o 6.5960  0.4057 -0.7822000     0.8114000 
1 1 1 22 8  32 o 6.0620  0.3994 -0.5498000     0.7987000 
1 1 1 22 8  33 o 8.1240  0.2952 0.6455000      0.5903000 
1 1 1 22 8  34 o 4.3130  0.5355 -0.5842000     1.071000  
1 1 1 22 8  35 o 6.5100  0.3529 0.9990000E-01  0.7059000 
1 1 1 22 8  36 o 3.4930  0.5870 -0.6253000     1.174000  
1 1 1 22 8  37 o 2.2960  0.6100 -0.8310000     1.220000  
1 1 1 22 8  38 o 8.4530  0.2734 -0.3877000     0.5468000 
1 1 1 22 8  39 o 8.0720  0.2716 0.7466000      0.5433000 
1 1 1 22 8  40 o 5.1200  0.4361 -0.3168000     0.8723000 
1 1 1 22 8  41 o 9.9530  0.2304 0.1006000E-01  0.4608000 
1 1 1 22 8  42 o 5.1520  0.4441 -0.8731000     0.8882000 
1 1 1 22 8  43 o 5.9710  0.4128 1.447000       0.8256000 
1 1 1 22 8  44 o 7.4310  0.2761 0.3794000      0.5522000 
1 1 1 22 8  45 o 1.3960  0.4814 -0.4633000     0.9628000 
1 1 1 22 8  46 o 5.1000  0.4325 0.7119000E-01  0.8651000 
1 1 1 22 8  47 o 8.8910  0.2754 0.3108000      0.5507000 
1 1 1 22 8  48 o 1.9990  0.5701 0.7181000      1.140000  
1 1 1 22 8  49 o 6.7340  0.3423 0.2009000      0.6846000 
1 1 1 22 8  50 o 3.6970  0.5514 -0.1976000     1.103000  
1 1 1 22 8  51 o 1.9980  0.5895 -0.4445000     1.179000  
1 1 1 22 8  52 o 1.6640  0.5356 -0.2222000     1.071000  
1 1 1 22 8  53 o 2.4450  0.6397 -0.3866000     1.279000  
1 1 1 22 8  54 o 5.7160  0.3739 0.8395000      0.7477000 
1 1 1 22 8  55 o 2.1700  0.5839 0.7683000      1.168000  
1 1 1 22 8  56 o 5.9660  0.3606 0.1511000      0.7211000 
1 1 1 22 8  57 o 1.9300  0.5802 -0.7730000     1.160000  
1 1 1 22 8  58 o 2.6360  0.6403 -0.7290000     1.281000  
1 1 1 22 9  0  o 4.4280  0.9546 0.000000       0.000000  
1 1 1 22 9  1  o 3.0240  0.6473 -2.288000      1.295000  
1 1 1 22 9  2  o 5.6210  0.5046 -1.646000      1.009000  
1 1 1 22 9  3  o 10.400  0.2778 0.6385000E-01  0.5557000 
1 1 1 22 9  4  o 9.2750  0.3556 -0.6584000     0.7112000 
1 1 1 22 9  5  o 7.5370  0.4584 0.7536000      0.9169000 
1 1 1 22 9  6  o 16.660  0.2552 0.7917000      0.5103000 
1 1 1 22 9  7  o 13.920  0.2554 0.8706000      0.5108000 
1 1 1 22 9  8  o 19.030  0.3112 0.3459000      0.6223000 
1 1 1 22 9  9  o 7.3450  0.6790 -0.2086000     1.358000  
1 1 1 22 9  10 o 12.640  0.4160 0.6521000E-01  0.8321000 
1 1 1 22 9  11 o 20.540  0.2154 0.9572000      0.4308000 
1 1 1 22 9  12 o 19.360  0.2174 0.4246000      0.4348000 
1 1 1 22 9  13 o 13.900  0.2727 -1.239000      0.5454000 
1 1 1 22 9  14 o 9.4180  0.3266 0.5335000      0.6532000 
1 1 1 22 9  15 o 4.1270  0.6913 -0.1104000     1.383000  
1 1 1 22 9  16 o 9.1000  0.3296 0.6942000      0.6592000 
1 1 1 22 9  17 o 10.140  0.3004 0.3435000      0.6008000 
1 1 1 22 9  18 o 17.790  0.2423 0.3940000      0.4845000 
1 1 1 22 9  19 o 9.9620  0.3350 0.5830000      0.6701000 
1 1 1 22 9  20 o 6.0190  0.4450 -0.1659000     0.8900000 
1 1 1 22 9  21 o 11.870  0.2712 0.5120000      0.5425000 
1 1 1 22 9  22 o 4.8770  0.7526 2.000000       1.505000  
1 1 1 22 9  23 o 2.5300  0.7289 -0.4301000     1.458000  
1 1 1 22 9  24 o 8.1760  0.3680 0.9464000      0.7360000 
1 1 1 22 9  25 f 5.5750  0.5179 2.132000       1.036000  
1 1 1 22 9  26 o 6.4900  0.4030 -0.5490000     0.8060000 
1 1 1 22 9  27 o 11.630  0.2328 -0.1440000     0.4656000 
1 1 1 22 9  28 o 6.1600  0.3899 -0.5954000     0.7799000 
1 1 1 22 9  29 o 10.410  0.2526 0.4077000E-01  0.5052000 
1 1 1 22 9  30 o 12.160  0.2246 0.2472000      0.4493000 
1 1 1 22 9  31 o 12.180  0.2209 -0.5422000     0.4418000 
1 1 1 22 9  32 o 3.7640  0.6116 0.4896000      1.223000  
1 1 1 22 9  33 o 6.9750  0.3369 -0.6335000     0.6739000 
1 1 1 22 9  34 o 9.3960  0.2602 -0.9395000     0.5203000 
1 1 1 22 9  35 o 3.3500  0.6330 -0.1507000     1.266000  
1 1 1 22 9  36 o 2.8280  0.6488 -0.3861000     1.298000  
1 1 1 22 9  37 o 8.2430  0.2613 -0.2394000     0.5225000 
1 1 1 22 9  38 f 11.540  0.2292 0.9858000      0.4584000 
1 1 1 22 9  39 o 8.4850  0.2518 -0.1740000     0.5036000 
1 1 1 22 9  40 o 5.1920  0.3977 0.5698000E-01  0.7954000 
1 1 1 22 9  41 o 6.7980  0.3413 0.2892000      0.6826000 
1 1 1 22 9  42 o 1.9540  0.5735 0.3317000      1.147000  
1 1 1 22 9  43 o 1.8790  0.5403 0.8856000      1.081000  
1 1 1 22 9  44 o 3.5390  0.5511 1.279000       1.102000  
1 1 1 22 9  45 o 1.9170  0.5730 -0.5717000     1.146000  
1 1 1 22 9  46 o 3.8620  0.4951 0.3695000      0.9902000 
1 1 1 22 9  47 o 2.4710  0.6143 -1.457000      1.229000  
1 1 1 22 9  48 o 3.2410  0.5934 -0.1088000     1.187000  
1 1 1 22 9  49 o 7.9970  0.2941 0.1196000      0.5883000 
1 1 1 22 9  50 o 6.2140  0.3310 -0.6682000E-01 0.6619000 
1 1 1 22 9  51 o 8.4710  0.2775 -0.4519000     0.5551000 
1 1 1 22 9  52 o 3.3750  0.5476 1.818000       1.095000  
1 1 1 22 9  53 o 2.3610  0.5974 -1.245000      1.195000  
1 1 1 22 9  54 o 3.7000  0.5796 -0.8751000E-01 1.159000  
1 1 1 22 9  55 o 5.0770  0.4197 0.6385000      0.8394000 
1 1 1 22 9  56 o 3.0840  0.5838 -1.640000      1.168000  
1 1 1 22 9  57 o 5.8840  0.3594 -0.4338000     0.7188000 
1 1 1 22 9  58 o 2.1020  0.6020 0.2288000      1.204000  
1 1 1 22 10 0  o 14.350  0.3229 0.000000       0.000000  
1 1 1 22 10 1  o 13.370  0.2401 0.2477000      0.4801000 
1 1 1 22 10 2  o 11.970  0.2602 1.052000       0.5205000 
1 1 1 22 10 3  o 12.160  0.2774 -0.4117000     0.5548000 
1 1 1 22 10 4  o 6.6990  0.5281 -0.6123000     1.056000  
1 1 1 22 10 5  o 4.7640  0.7389 0.1447000      1.478000  
1 1 1 22 10 6  o 3.9480  0.7631 2.177000       1.526000  
1 1 1 22 10 7  o 8.9550  0.3683 0.9757000      0.7366000 
1 1 1 22 10 8  o 7.8110  0.5792 -3.839000      1.158000  
1 1 1 22 10 9  o 7.8370  0.6589 -0.6202000E-01 1.318000  
1 1 1 22 10 10 o 5.8030  0.8099 -1.525000      1.620000  
1 1 1 22 10 11 o 4.4300  0.6868 1.256000       1.374000  
1 1 1 22 10 12 o 12.470  0.2735 0.1448000E-01  0.5470000 
1 1 1 22 10 13 o 18.560  0.2317 -0.7358000E-01 0.4635000 
1 1 1 22 10 14 o 11.500  0.3059 0.9856000      0.6119000 
1 1 1 22 10 15 f 4.6420  0.6700 2.248000       1.340000  
1 1 1 22 10 16 o 3.8980  0.6059 3.013000       1.212000  
1 1 1 22 10 17 o 9.2010  0.3499 0.7722000      0.6997000 
1 1 1 22 10 18 o 2.3300  0.6907 -0.1021000     1.381000  
1 1 1 22 10 19 o 2.3720  0.6707 0.5235000      1.341000  
1 1 1 22 10 20 o 11.080  0.2808 -0.7845000     0.5617000 
1 1 1 22 10 21 o 10.220  0.2726 0.3584000      0.5452000 
1 1 1 22 10 22 o 4.1420  0.6137 0.5977000      1.227000  
1 1 1 22 10 23 o 5.5030  0.4643 2.206000       0.9286000 
1 1 1 22 10 24 o 6.8420  0.3960 0.7802000      0.7920000 
1 1 1 22 10 25 o 3.1720  0.6711 1.012000       1.342000  
1 1 1 22 10 26 o 2.3270  0.6509 -0.7337000     1.302000  
1 1 1 22 10 27 o 10.120  0.2563 -0.2570000E-02 0.5126000 
1 1 1 22 10 28 o 8.1200  0.3007 -0.3989000     0.6015000 
1 1 1 22 10 29 o 11.420  0.2328 -0.2728000     0.4655000 
1 1 1 22 10 30 o 5.4150  0.4429 0.7733000      0.8858000 
1 1 1 22 10 31 o 4.5940  0.5134 0.4346000      1.027000  
1 1 1 22 10 32 o 9.3740  0.2593 0.1693000      0.5185000 
1 1 1 22 10 33 o 5.4930  0.4541 -1.326000      0.9082000 
1 1 1 22 10 34 o 4.2030  0.5389 -0.6302000     1.078000  
1 1 1 22 10 35 o 5.3100  0.5242 2.416000       1.048000  
1 1 1 22 10 36 o 2.4400  0.6434 0.3963000      1.287000  
1 1 1 22 10 37 o 5.3580  0.4426 0.5983000      0.8851000 
1 1 1 22 10 38 o 4.5370  0.4549 0.1160000      0.9097000 
1 1 1 22 10 39 f 7.4600  0.2729 -0.6762000E-01 0.5458000 
1 1 1 22 10 40 o 7.2970  0.3143 -0.1809000     0.6286000 
1 1 1 22 10 41 o 4.1980  0.5216 0.1212000      1.043000  
1 1 1 22 10 42 o 1.8510  0.5520 -0.5170000     1.104000  
1 1 1 22 10 43 o 5.8270  0.3356 -0.6945000     0.6712000 
1 1 1 22 10 44 o 5.5160  0.3795 0.6442000      0.7589000 
1 1 1 22 10 45 o 7.8150  0.2493 0.7677000      0.4985000 
1 1 1 22 10 46 o 4.6680  0.4133 0.6582000      0.8266000 
1 1 1 22 10 47 o 2.4480  0.6034 -0.8488000     1.207000  
1 1 1 22 10 48 o 4.5320  0.4443 -0.3017000     0.8885000 
1 1 1 22 10 49 o 3.8180  0.5591 -1.033000      1.118000  
1 1 1 22 10 50 o 5.6570  0.3202 -0.4766000     0.6404000 
1 1 1 22 10 51 o 4.1220  0.4485 -0.2809000     0.8970000 
1 1 1 22 10 52 o 4.5740  0.7148 -0.3396000     1.430000  
1 1 1 22 10 53 o 4.6090  0.6200 0.3595000      1.240000  
1 1 1 22 10 54 o 3.6170  0.7442 -0.1405000     1.488000  
1 1 1 22 10 55 o 4.1070  0.7087 0.6552000      1.417000  
1 1 1 22 10 56 o 2.3180  0.6898 -0.3336000     1.380000  
1 1 1 22 10 57 o 3.4260  0.7491 1.299000       1.498000  
1 1 1 22 11 0  o 2.1480  1.2150 0.000000       0.000000  
1 1 1 22 11 1  o 7.0650  0.4138 -0.4818000     0.8276000 
1 1 1 22 11 2  o 20.600  0.2139 0.8034000      0.4277000 
1 1 1 22 11 3  o 25.190  0.2074 -0.6465000     0.4147000 
1 1 1 22 11 4  o 11.840  0.3026 0.6126000      0.6053000 
1 1 1 22 11 5  o 10.690  0.3349 -0.7118000     0.6699000 
1 1 1 22 11 7  o 11.970  0.2622 0.9726000      0.5244000 
1 1 1 22 11 8  o 3.0340  0.7518 1.182000       1.504000  
1 1 1 22 11 9  o 11.500  0.3493 0.3825000      0.6986000 
1 1 1 22 11 10 o 9.8580  0.4020 -0.6110000E-02 0.8039000 
1 1 1 22 11 11 o 30.540  0.2079 -0.6413000     0.4159000 
1 1 1 22 11 12 o 5.1990  0.6072 1.760000       1.214000  
1 1 1 22 11 13 o 6.1240  0.4857 0.3320000      0.9714000 
1 1 1 22 11 14 o 5.7920  0.5153 -1.198000      1.031000  
1 1 1 22 11 15 o 11.420  0.2612 0.9776000      0.5224000 
1 1 1 22 11 16 o 8.1580  0.3643 0.6605000      0.7286000 
1 1 1 22 11 17 o 8.4430  0.3327 1.127000       0.6653000 
1 1 1 22 11 18 o 22.610  0.2206 0.8644000E-01  0.4413000 
1 1 1 22 11 19 o 11.580  0.2563 1.083000       0.5127000 
1 1 1 22 11 20 o 6.2520  0.5023 1.957000       1.005000  
1 1 1 22 11 21 o 15.310  0.2072 0.6935000      0.4144000 
1 1 1 22 11 22 o 9.9580  0.2524 -0.3355000     0.5047000 
1 1 1 22 11 23 o 10.920  0.2351 0.2109000      0.4702000 
1 1 1 22 11 24 o 7.1120  0.3297 0.4892000      0.6593000 
1 1 1 22 11 25 o 7.9540  0.3397 0.7212000      0.6794000 
1 1 1 22 11 26 o 5.7480  0.4165 0.4449000      0.8330000 
1 1 1 22 11 27 o 6.7960  0.3523 0.1082000      0.7046000 
1 1 1 22 11 28 o 16.830  0.1861 0.2112000      0.3722000 
1 1 1 22 11 29 o 7.3610  0.3196 -0.7996000     0.6392000 
1 1 1 22 11 30 o 1.8800  0.5867 -0.1944000     1.173000  
1 1 1 22 11 31 o 9.8060  0.2483 0.4698000      0.4966000 
1 1 1 22 11 32 o 7.6900  0.2992 -1.152000      0.5983000 
1 1 1 22 11 33 o 3.3420  0.7198 0.3786000      1.440000  
1 1 1 22 11 34 o 5.1180  0.4457 -1.549000      0.8913000 
1 1 1 22 11 35 o 3.2790  0.6643 0.2106000      1.329000  
1 1 1 22 11 36 o 7.7680  0.2970 -0.1490000     0.5940000 
1 1 1 22 11 37 o 5.4220  0.4014 1.316000       0.8027000 
1 1 1 22 11 38 o 2.2420  0.5981 -0.5637000     1.196000  
1 1 1 22 11 39 o 5.1390  0.4147 0.3149000      0.8295000 
1 1 1 22 11 40 o 10.700  0.2334 -0.3856000     0.4668000 
1 1 1 22 11 41 o 2.9770  0.5984 -1.305000      1.197000  
1 1 1 22 11 42 o 4.6400  0.4485 0.3715000      0.8969000 
1 1 1 22 11 43 o 3.7490  0.7016 0.8671000      1.403000  
1 1 1 22 11 44 o 3.0770  0.7032 -0.1653000     1.406000  
1 1 1 22 11 45 o 8.0460  0.3475 -0.2780000     0.6949000 
1 1 1 22 11 46 o 2.2180  0.6757 0.2879000      1.351000  
1 1 1 22 11 47 o 3.8560  0.6783 1.880000       1.357000  
1 1 1 22 11 48 o 4.0980  0.6862 0.5595000      1.372000  
1 1 1 22 11 49 o 4.6080  0.6350 2.428000       1.270000  
1 1 1 22 11 50 o 3.7710  0.7848 -0.2334000     1.570000  
1 1 1 22 11 51 f 2.4820  0.7476 0.1052000      1.495000  
1 1 1 22 11 52 o 2.3030  0.7187 0.2017000      1.437000  
1 1 1 22 11 53 o 1.8080  0.5969 0.9574000E-01  1.194000  
1 1 1 22 11 54 o 3.3790  0.7129 -0.6337000     1.426000  
1 1 1 22 11 55 o 4.8340  0.5860 0.1585000      1.172000  
1 1 1 22 11 56 o 4.4700  0.6842 0.5188000E-01  1.368000  
1 1 1 22 11 57 o 3.0620  0.6606 -1.383000      1.321000  
1 1 1 22 12 0  o 10.700  0.3898 0.000000       0.000000  
1 1 1 22 12 1  o 10.700  0.2643 -0.3752000     0.5286000 
1 1 1 22 12 2  o 11.800  0.2461 -0.6162000     0.4922000 
1 1 1 22 12 3  o 12.170  0.2509 0.2198000      0.5018000 
1 1 1 22 12 4  o 8.9230  0.4525 0.1918000      0.9049000 
1 1 1 22 12 5  o 5.3970  0.7548 -1.694000      1.510000  
1 1 1 22 12 6  o 10.780  0.4001 -0.3868000     0.8002000 
1 1 1 22 12 7  o 13.300  0.2326 -0.1750000     0.4653000 
1 1 1 22 12 8  o 5.2390  0.6570 -0.1565000     1.314000  
1 1 1 22 12 9  o 9.7870  0.3675 0.6734000      0.7350000 
1 1 1 22 12 10 o 6.3110  0.5767 0.8572000      1.153000  
1 1 1 22 12 11 o 8.2450  0.3342 0.2840000      0.6684000 
1 1 1 22 12 12 o 11.620  0.2411 0.7263000E-02  0.4822000 
1 1 1 22 12 13 o 13.040  0.2219 0.5229000      0.4438000 
1 1 1 22 12 14 o 1.8210  0.5865 -0.9436000     1.173000  
1 1 1 22 12 15 o 10.090  0.2625 0.2927000      0.5250000 
1 1 1 22 12 16 o 2.5910  0.6627 -1.555000      1.325000  
1 1 1 22 12 17 o 10.250  0.2920 -0.3735000E-01 0.5840000 
1 1 1 22 12 18 o 4.4000  0.6386 -0.7718000     1.277000  
1 1 1 22 12 19 o 7.6560  0.3572 -0.2601000     0.7145000 
1 1 1 22 12 20 o 8.8510  0.2739 -0.2710000     0.5478000 
1 1 1 22 12 21 o 12.260  0.2172 0.1940000E-01  0.4344000 
1 1 1 22 12 22 o 10.040  0.2477 0.4101000      0.4954000 
1 1 1 22 12 23 o 7.4060  0.2928 -0.5443000E-01 0.5856000 
1 1 1 22 12 24 o 6.2150  0.3296 0.2974000      0.6592000 
1 1 1 22 12 25 o 6.4770  0.3013 -0.4233000     0.6026000 
1 1 1 22 12 26 o 4.1750  0.5273 0.1601000      1.055000  
1 1 1 22 12 27 f 11.350  0.2283 -0.2191000     0.4567000 
1 1 1 22 12 28 o 2.5260  0.6545 -0.5678000     1.309000  
1 1 1 22 12 29 o 7.4310  0.2976 1.319000       0.5952000 
1 1 1 22 12 30 o 4.8600  0.4648 1.505000       0.9297000 
1 1 1 22 12 31 o 6.3350  0.3524 -1.004000      0.7047000 
1 1 1 22 12 32 o 3.5570  0.5711 1.168000       1.142000  
1 1 1 22 12 33 o 5.7590  0.3434 -0.3029000     0.6868000 
1 1 1 22 12 34 o 9.5090  0.2452 -0.6928000     0.4903000 
1 1 1 22 12 35 o 7.5060  0.2853 0.5576000      0.5706000 
1 1 1 22 12 36 o 7.9220  0.2672 0.9428000      0.5344000 
1 1 1 22 12 37 o 6.7260  0.3161 0.2817000      0.6322000 
1 1 1 22 12 38 o 8.4210  0.2598 0.2309000      0.5196000 
1 1 1 22 12 39 f 9.4390  0.2485 -0.6856000     0.4969000 
1 1 1 22 12 40 o 9.6960  0.2745 0.8009000      0.5490000 
1 1 1 22 12 41 o 7.2200  0.3284 -0.1228000     0.6569000 
1 1 1 22 12 42 o 3.7350  0.6016 -0.3466000E-01 1.203000  
1 1 1 22 12 43 o 6.2740  0.3688 -0.3586000     0.7377000 
1 1 1 22 12 44 o 3.0870  0.6093 -1.975000      1.219000  
1 1 1 22 12 45 o 6.4020  0.3944 1.534000       0.7888000 
1 1 1 22 12 46 o 2.8510  0.6884 -0.1956000E-01 1.377000  
1 1 1 22 12 47 o 3.8100  0.6406 0.7870000      1.281000  
1 1 1 22 12 48 o 5.2100  0.5087 1.342000       1.017000  
1 1 1 22 12 49 o 4.1630  0.5771 -1.028000      1.154000  
1 1 1 22 12 50 o 5.0270  0.4621 -0.5923000     0.9242000 
1 1 1 22 12 51 o 6.6530  0.3541 -0.1256000     0.7083000 
1 1 1 22 12 52 o 2.7740  0.6352 1.138000       1.270000  
1 1 1 22 12 53 o 1.8150  0.5731 -0.2207000     1.146000  
1 1 1 22 12 54 o 2.1650  0.6026 0.5940000      1.205000  
1 1 1 22 12 55 o 2.5960  0.6353 -1.127000      1.271000  
1 1 1 22 12 56 o 4.5060  0.5147 0.7125000      1.029000  
1 1 1 22 13 0  o 6.0000  0.6495 0.000000       0.000000  
1 1 1 22 13 1  o 9.3950  0.3000 0.3801000      0.5999000 
1 1 1 22 13 2  o 11.410  0.2547 -0.4200000E-02 0.5095000 
1 1 1 22 13 3  o 6.0560  0.4520 -0.3314000     0.9040000 
1 1 1 22 13 4  o 18.030  0.1956 0.2038000      0.3911000 
1 1 1 22 13 5  o 11.060  0.3847 -0.3713000     0.7695000 
1 1 1 22 13 6  o 9.1830  0.3915 -0.6834000     0.7831000 
1 1 1 22 13 7  o 7.7830  0.3407 -0.7268000     0.6813000 
1 1 1 22 13 8  o 5.7280  0.5783 0.4909000      1.157000  
1 1 1 22 13 9  o 3.6630  0.7034 1.345000       1.407000  
1 1 1 22 13 10 o 5.2290  0.6163 -0.2753000     1.233000  
1 1 1 22 13 11 o 11.100  0.2428 -1.148000      0.4855000 
1 1 1 22 13 12 o 2.8340  0.5541 2.358000       1.108000  
1 1 1 22 13 13 o 12.170  0.2235 0.4172000      0.4470000 
1 1 1 22 13 14 o 6.9610  0.3544 0.2490000      0.7087000 
1 1 1 22 13 15 o 2.6400  0.6712 0.7738000      1.342000  
1 1 1 22 13 16 o 9.5180  0.3066 0.1763000      0.6131000 
1 1 1 22 13 17 o 13.620  0.2302 0.4191000      0.4604000 
1 1 1 22 13 18 o 2.5550  0.6552 0.6880000      1.310000  
1 1 1 22 13 19 o 5.3700  0.5236 1.003000       1.047000  
1 1 1 22 13 20 o 5.1340  0.4903 1.126000       0.9805000 
1 1 1 22 13 21 o 5.4310  0.4571 -0.3724000     0.9141000 
1 1 1 22 13 22 f 8.8250  0.3081 -0.1404000     0.6162000 
1 1 1 22 13 23 o 5.1280  0.4229 0.9159000      0.8458000 
1 1 1 22 13 24 o 17.700  0.1537 0.1486000E-01  0.3074000 
1 1 1 22 13 25 o 7.1340  0.2788 0.5199000      0.5576000 
1 1 1 22 13 26 o 6.8500  0.2881 0.7250000      0.5762000 
1 1 1 22 13 27 o 7.8760  0.2731 -0.5040000     0.5462000 
1 1 1 22 13 28 o 3.5800  0.5787 1.999000       1.157000  
1 1 1 22 13 29 o 9.1680  0.2604 0.5998000      0.5207000 
1 1 1 22 13 30 o 4.9360  0.4454 -0.3443000     0.8908000 
1 1 1 22 13 31 o 3.0740  0.5811 0.7080000      1.162000  
1 1 1 22 13 32 o 7.7440  0.2951 -0.8050000     0.5902000 
1 1 1 22 13 33 o 7.7470  0.2827 0.9046000      0.5653000 
1 1 1 22 13 34 o 3.7610  0.5387 0.7648000E-01  1.077000  
1 1 1 22 13 35 o 6.5540  0.3154 0.7385000      0.6309000 
1 1 1 22 13 36 o 4.6940  0.5036 0.2912000      1.007000  
1 1 1 22 13 37 o 4.4790  0.4640 -0.4140000     0.9281000 
1 1 1 22 13 38 o 7.4010  0.3848 -0.2922000     0.7697000 
1 1 1 22 13 39 o 9.6860  0.3214 0.8851000      0.6427000 
1 1 1 22 13 40 o 2.3510  0.6358 -2.011000      1.272000  
1 1 1 22 13 41 o 2.6070  0.6209 0.8140000      1.242000  
1 1 1 22 13 42 o 5.1020  0.4057 -0.4757000     0.8113000 
1 1 1 22 13 43 o 2.1280  0.6047 -0.5173000     1.209000  
1 1 1 22 13 44 o 7.1180  0.3169 1.250000       0.6338000 
1 1 1 22 13 45 o 4.8180  0.4710 -1.378000      0.9419000 
1 1 1 22 13 46 o 5.8730  0.3877 -1.025000      0.7753000 
1 1 1 22 13 47 o 2.1290  0.6251 -0.7009000     1.250000  
1 1 1 22 13 48 o 5.2670  0.4520 1.722000       0.9039000 
1 1 1 22 13 49 o 3.4120  0.6033 -1.338000      1.207000  
1 1 1 22 13 50 o 2.9950  0.6481 -0.4159000     1.296000  
1 1 1 22 13 51 o 4.3440  0.5175 -0.1227000     1.035000  
1 1 1 22 13 52 o 4.4620  0.4848 -0.7832000     0.9697000 
1 1 1 22 13 53 o 4.0530  0.5451 0.5259000      1.090000  
1 1 1 22 13 54 o 2.6240  0.6397 -0.9715000     1.279000  
1 1 1 22 13 55 o 6.0350  0.3762 0.5112000E-01  0.7525000 
1 1 1 22 14 0  o 26.720  0.2593 0.000000       0.000000  
1 1 1 22 14 1  o 2.7090  0.7101 0.6210000      1.420000  
1 1 1 22 14 2  o 7.4560  0.3600 0.7169000E-01  0.7200000 
1 1 1 22 14 3  o 2.8660  0.7063 0.6723000      1.413000  
1 1 1 22 14 4  o 8.5680  0.2990 -0.7427000     0.5980000 
1 1 1 22 14 5  o 9.3310  0.3075 -0.6838000     0.6150000 
1 1 1 22 14 6  o 7.6880  0.4141 0.6874000      0.8282000 
1 1 1 22 14 7  o 2.3730  0.7025 -0.4873000     1.405000  
1 1 1 22 14 8  o 20.770  0.1773 0.1342000      0.3546000 
1 1 1 22 14 9  o 11.420  0.2935 0.5438000      0.5871000 
1 1 1 22 14 10 o 3.9100  0.7186 0.4167000      1.437000  
1 1 1 22 14 11 o 8.6740  0.2931 0.2727000      0.5861000 
1 1 1 22 14 12 o 18.740  0.1786 0.5121000      0.3573000 
1 1 1 22 14 13 o 5.0560  0.5098 1.381000       1.020000  
1 1 1 22 14 14 o 11.060  0.2462 0.7182000      0.4924000 
1 1 1 22 14 15 o 3.1750  0.7134 0.1115000E-01  1.427000  
1 1 1 22 14 16 o 4.3480  0.5902 -0.4888000     1.180000  
1 1 1 22 14 17 o 2.8400  0.6971 -0.1450000     1.394000  
1 1 1 22 14 18 o 6.3000  0.3957 -1.674000      0.7914000 
1 1 1 22 14 19 o 2.5140  0.6561 -0.8414000     1.312000  
1 1 1 22 14 20 o 11.010  0.2273 -0.2204000     0.4546000 
1 1 1 22 14 21 o 8.4280  0.2870 0.2803000      0.5740000 
1 1 1 22 14 22 o 4.7970  0.4739 -2.536000      0.9479000 
1 1 1 22 14 23 o 4.4790  0.5933 2.622000       1.187000  
1 1 1 22 14 24 o 9.5840  0.2523 -0.2468000     0.5046000 
1 1 1 22 14 25 o 4.3930  0.4986 0.6583000      0.9972000 
1 1 1 22 14 26 o 9.7980  0.2153 0.4944000      0.4306000 
1 1 1 22 14 27 o 9.9810  0.2316 0.2171000      0.4632000 
1 1 1 22 14 28 o 1.9460  0.5858 -0.1417000     1.172000  
1 1 1 22 14 29 o 2.7040  0.6587 -0.6962000     1.317000  
1 1 1 22 14 30 o 2.7600  0.5575 1.184000       1.115000  
1 1 1 22 14 31 f 8.9680  0.3104 -0.6192000     0.6209000 
1 1 1 22 14 32 o 9.1510  0.2729 0.3395000      0.5459000 
1 1 1 22 14 33 o 4.3340  0.5155 -0.4012000     1.031000  
1 1 1 22 14 34 o 7.5140  0.2931 -0.9471000E-01 0.5862000 
1 1 1 22 14 35 o 7.7270  0.2527 -0.2201000     0.5054000 
1 1 1 22 14 36 o 5.7450  0.5951 ?              ?         
1 1 1 22 14 37 o 3.2420  0.6339 -1.985000      1.268000  
1 1 1 22 14 38 f 1.7580  0.5632 -0.1972000     1.126000  
1 1 1 22 14 39 o 4.7750  0.4602 -0.5878000     0.9203000 
1 1 1 22 14 40 o 3.0350  0.6163 0.5176000      1.233000  
1 1 1 22 14 41 o 4.3470  0.4952 0.9399000      0.9904000 
1 1 1 22 14 42 f 7.2680  0.2983 0.8808000      0.5967000 
1 1 1 22 14 43 o 2.5420  0.6031 0.2550000      1.206000  
1 1 1 22 14 44 o 4.7120  0.4721 -0.1741000     0.9441000 
1 1 1 22 14 45 o 4.9670  0.4496 -0.1306000     0.8993000 
1 1 1 22 14 46 o 3.0930  0.6350 -0.5094000     1.270000  
1 1 1 22 14 47 o 3.9370  0.5250 -0.2319000     1.050000  
1 1 1 22 14 48 o 6.3450  0.3389 -0.6329000     0.6778000 
1 1 1 22 14 49 o 7.9830  0.2806 0.1402000      0.5612000 
1 1 1 22 14 50 o 4.7690  0.4852 1.386000       0.9704000 
1 1 1 22 14 51 o 3.1460  0.6144 -0.3112000     1.229000  
1 1 1 22 14 52 o 2.7520  0.6089 -1.468000      1.218000  
1 1 1 22 14 53 o 4.2910  0.4777 -1.008000      0.9555000 
1 1 1 22 14 54 o 5.0330  0.4637 1.565000       0.9274000 
1 1 1 22 15 0  o 16.080  0.2849 0.000000       0.000000  
1 1 1 22 15 1  o 9.9850  0.2761 0.8329000      0.5522000 
1 1 1 22 15 2  f 6.0710  0.4362 -1.441000      0.8724000 
1 1 1 22 15 3  o 16.620  0.1951 -0.3708000     0.3902000 
1 1 1 22 15 4  o 3.3610  0.6892 0.4652000      1.378000  
1 1 1 22 15 5  o 11.800  0.2279 0.7079000      0.4559000 
1 1 1 22 15 6  o 13.240  0.2319 0.5416000      0.4638000 
1 1 1 22 15 7  o 11.260  0.3015 -0.7131000     0.6029000 
1 1 1 22 15 8  f 8.9860  0.3045 0.2601000      0.6090000 
1 1 1 22 15 9  o 3.3100  0.7354 -0.1957000     1.471000  
1 1 1 22 15 10 o 9.8020  0.3158 0.5115000E-01  0.6317000 
1 1 1 22 15 11 o 14.260  0.2423 0.1154000      0.4845000 
1 1 1 22 15 12 f 3.8370  0.6121 0.9503000      1.224000  
1 1 1 22 15 13 o 2.4390  0.6659 -0.7317000     1.332000  
1 1 1 22 15 14 o 11.070  0.2692 0.4172000E-01  0.5385000 
1 1 1 22 15 15 o 8.8800  0.3121 1.072000       0.6242000 
1 1 1 22 15 16 o 13.640  0.2241 0.2761000      0.4481000 
1 1 1 22 15 17 o 8.4120  0.3130 0.6916000      0.6259000 
1 1 1 22 15 18 o 12.680  0.2077 0.4294000      0.4155000 
1 1 1 22 15 19 o 2.8180  0.6406 -1.289000      1.281000  
1 1 1 22 15 20 o 11.800  0.2123 0.1347000      0.4246000 
1 1 1 22 15 21 f 9.8590  0.2416 0.5528000      0.4832000 
1 1 1 22 15 22 o 14.510  0.1842 0.1626000      0.3684000 
1 1 1 22 15 23 o 6.5480  0.3342 -0.3935000     0.6683000 
1 1 1 22 15 24 o 11.130  0.2067 0.8564000      0.4134000 
1 1 1 22 15 25 o 10.010  0.2644 0.2938000      0.5288000 
1 1 1 22 15 26 o 3.4760  0.5512 0.5083000      1.102000  
1 1 1 22 15 27 o 4.9450  0.5530 0.6556000      1.106000  
1 1 1 22 15 28 o 2.4950  0.5807 1.440000       1.161000  
1 1 1 22 15 29 f 10.440  0.2362 -0.8826000     0.4723000 
1 1 1 22 15 30 o 2.0630  0.5889 -0.9886000     1.178000  
1 1 1 22 15 31 o 3.6560  0.5693 0.9433000      1.139000  
1 1 1 22 15 32 o 5.8220  0.3495 -0.4880000     0.6990000 
1 1 1 22 15 33 o 5.5830  0.3492 -0.4371000E-01 0.6983000 
1 1 1 22 15 34 o 1.6240  0.4937 0.2136000      0.9874000 
1 1 1 22 15 35 o 1.9710  0.5882 -0.9321000     1.176000  
1 1 1 22 15 36 o 5.6730  0.4186 -1.780000      0.8373000 
1 1 1 22 15 37 o 3.6090  0.6080 0.6235000      1.216000  
1 1 1 22 15 38 o 14.370  0.2054 -0.5003000E-01 0.4108000 
1 1 1 22 15 39 o 2.3110  0.5677 0.9477000      1.135000  
1 1 1 22 15 40 o 2.9050  0.5973 0.2362000      1.195000  
1 1 1 22 15 41 o 5.1030  0.4336 1.351000       0.8672000 
1 1 1 22 15 42 o 1.9650  0.5697 0.7669000E-01  1.139000  
1 1 1 22 15 43 o 7.9050  0.3981 0.2076000      0.7961000 
1 1 1 22 15 44 o 6.4630  0.3582 0.7335000      0.7164000 
1 1 1 22 15 45 f 2.0660  0.5998 -0.5571000     1.200000  
1 1 1 22 15 46 o 4.7780  0.4183 0.7699000E-01  0.8365000 
1 1 1 22 15 47 o 4.0620  0.5133 1.241000       1.027000  
1 1 1 22 15 48 o 11.160  0.2111 0.4934000      0.4222000 
1 1 1 22 15 49 o 3.8210  0.5228 1.328000       1.046000  
1 1 1 22 15 50 o 4.4800  0.4435 0.2124000      0.8870000 
1 1 1 22 15 51 o 1.8950  0.6123 -0.2178000     1.225000  
1 1 1 22 15 52 o 2.8680  0.7456 0.3337000E-01  1.491000  
1 1 1 22 15 53 o 2.0080  0.6242 -0.6097000     1.248000  
1 1 1 22 16 0  o 6.4610  0.5562 0.000000       0.000000  
1 1 1 22 16 1  o 15.920  0.1982 -0.2078000     0.3964000 
1 1 1 22 16 2  o 7.1570  0.3542 -0.1094000     0.7083000 
1 1 1 22 16 3  o 15.860  0.1985 -0.2926000E-01 0.3969000 
1 1 1 22 16 4  o 2.4090  0.6391 -1.334000      1.278000  
1 1 1 22 16 5  o 6.8290  0.3666 0.6685000      0.7332000 
1 1 1 22 16 6  o 1.9570  0.5912 0.9982000      1.182000  
1 1 1 22 16 7  o 3.2220  0.6916 0.8647000      1.383000  
1 1 1 22 16 8  o 6.6660  0.4602 -0.1412000     0.9204000 
1 1 1 22 16 9  f 3.6360  0.5831 -2.850000      1.166000  
1 1 1 22 16 10 o 8.7020  0.3387 -0.2092000     0.6774000 
1 1 1 22 16 11 o 5.6380  0.5303 0.5034000      1.061000  
1 1 1 22 16 12 f 7.8160  0.3231 -0.2834000     0.6461000 
1 1 1 22 16 13 o 15.650  0.2161 -0.4643000     0.4322000 
1 1 1 22 16 14 o 3.3440  0.6529 0.9278000      1.306000  
1 1 1 22 16 15 o 2.8060  0.6633 0.5304000      1.327000  
1 1 1 22 16 16 o 9.8940  0.2681 0.6470000      0.5362000 
1 1 1 22 16 17 o 7.6140  0.3013 -0.3551000     0.6025000 
1 1 1 22 16 18 o 5.0930  0.4530 0.7801000      0.9060000 
1 1 1 22 16 19 o 4.2400  0.5175 -0.2629000     1.035000  
1 1 1 22 16 20 o 4.1610  0.5485 1.598000       1.097000  
1 1 1 22 16 21 o 4.0200  0.5087 -0.5847000     1.017000  
1 1 1 22 16 22 o 13.920  0.1788 0.9602000      0.3577000 
1 1 1 22 16 23 o 3.7500  0.5332 -0.8166000     1.066000  
1 1 1 22 16 24 o 1.6830  0.5323 -0.8862000     1.065000  
1 1 1 22 16 25 o 8.2770  0.2651 0.2260000      0.5302000 
1 1 1 22 16 26 o 7.2140  0.4359 -0.4443000     0.8717000 
1 1 1 22 16 27 o 7.8470  0.3167 0.2518000      0.6334000 
1 1 1 22 16 28 o 2.7420  0.5504 1.981000       1.101000  
1 1 1 22 16 29 o 8.5810  0.2669 0.1580000      0.5338000 
1 1 1 22 16 30 o 4.8190  0.4260 1.028000       0.8520000 
1 1 1 22 16 31 o 6.5630  0.3643 0.2893000      0.7287000 
1 1 1 22 16 32 o 4.8010  0.4322 0.1898000      0.8644000 
1 1 1 22 16 33 o 3.8550  0.4911 -0.5590000E-01 0.9823000 
1 1 1 22 16 34 o 10.240  0.2172 0.9336000      0.4344000 
1 1 1 22 16 35 o 4.7030  0.5453 1.091000       1.091000  
1 1 1 22 16 36 o 6.1230  0.4229 -1.567000      0.8458000 
1 1 1 22 16 37 o 3.0100  0.5927 1.008000       1.185000  
1 1 1 22 16 38 o 4.5910  0.5090 0.5548000      1.018000  
1 1 1 22 16 39 o 5.3110  0.3791 0.9089000E-01  0.7581000 
1 1 1 22 16 40 o 7.0950  0.2888 -0.4200000     0.5776000 
1 1 1 22 16 41 o 6.6250  0.3207 0.8766000      0.6414000 
1 1 1 22 16 42 o 8.6360  0.2782 0.4853000      0.5564000 
1 1 1 22 16 43 o 3.4340  0.5809 0.6515000      1.162000  
1 1 1 22 16 44 o 6.9990  0.3373 1.321000       0.6746000 
1 1 1 22 16 45 o 2.1870  0.5571 0.2931000      1.114000  
1 1 1 22 16 46 o 1.7770  0.5309 -0.1560000     1.062000  
1 1 1 22 16 47 o 4.2270  0.6891 -2.409000      1.378000  
1 1 1 22 16 48 o 3.1960  0.7924 0.6227000E-03  1.585000  
1 1 1 22 16 49 o 2.2430  0.7090 0.3379000      1.418000  
1 1 1 22 16 50 o 3.9100  0.7086 0.6024000      1.417000  
1 1 1 22 16 51 o 3.2710  0.7475 0.9660000      1.495000  
1 1 1 22 16 52 o 2.5200  0.6444 -1.475000      1.289000  
1 1 1 22 17 0  o 7.2770  0.4763 0.000000       0.000000  
1 1 1 22 17 1  o 4.0490  0.5947 -1.559000      1.189000  
1 1 1 22 17 2  o 2.5450  0.6559 -0.9344000     1.312000  
1 1 1 22 17 3  o 4.5430  0.5449 -1.061000      1.090000  
1 1 1 22 17 4  o 9.2240  0.2749 -0.3286000     0.5498000 
1 1 1 22 17 5  o 10.570  0.2484 0.1871000E-01  0.4968000 
1 1 1 22 17 6  o 12.990  0.2152 -0.7607000E-01 0.4304000 
1 1 1 22 17 7  o 7.1070  0.3774 0.3335000      0.7547000 
1 1 1 22 17 8  o 9.5680  0.2769 -0.1873000     0.5538000 
1 1 1 22 17 9  o 3.4610  0.7049 -1.082000      1.410000  
1 1 1 22 17 10 o 4.6500  0.5518 -0.4761000     1.104000  
1 1 1 22 17 11 o 4.5510  0.6378 0.4399000      1.276000  
1 1 1 22 17 12 o 5.4620  0.7411 1.115000       1.482000  
1 1 1 22 17 13 o 12.440  0.2328 -0.2061000     0.4655000 
1 1 1 22 17 14 o 7.9140  0.3213 0.6344000      0.6426000 
1 1 1 22 17 15 o 9.5500  0.2682 0.2790000      0.5365000 
1 1 1 22 17 16 o 10.780  0.2266 0.6722000      0.4532000 
1 1 1 22 17 17 o 7.0290  0.3569 0.7943000      0.7138000 
1 1 1 22 17 18 o 4.4450  0.4750 -1.271000      0.9501000 
1 1 1 22 17 19 o 4.4960  0.4658 -1.281000      0.9315000 
1 1 1 22 17 20 o 3.2660  0.5743 0.6948000      1.149000  
1 1 1 22 17 21 o 5.0530  0.4278 1.826000       0.8555000 
1 1 1 22 17 22 o 7.2780  0.2785 0.6965000      0.5571000 
1 1 1 22 17 23 o 3.2680  0.4946 -2.983000      0.9892000 
1 1 1 22 17 24 o 6.5020  0.4149 1.482000       0.8298000 
1 1 1 22 17 25 o 4.7380  0.4069 -0.5327000     0.8139000 
1 1 1 22 17 26 o 6.6850  0.3468 -0.5760000     0.6936000 
1 1 1 22 17 27 f 3.5100  0.5773 0.7978000      1.155000  
1 1 1 22 17 28 o 6.3930  0.3589 -0.3270000     0.7178000 
1 1 1 22 17 29 o 4.0030  0.5216 1.250000       1.043000  
1 1 1 22 17 30 o 1.9780  0.5680 0.2958000      1.136000  
1 1 1 22 17 31 o 4.3750  0.4338 -0.5387000     0.8676000 
1 1 1 22 17 32 o 5.5930  0.3127 -0.3624000     0.6255000 
1 1 1 22 17 33 o 5.6560  0.5475 1.610000       1.095000  
1 1 1 22 17 34 o 2.3480  0.6423 -0.2185000     1.285000  
1 1 1 22 17 35 o 2.8500  0.4424 2.339000       0.8849000 
1 1 1 22 17 36 o 3.1610  0.6061 0.9589000      1.212000  
1 1 1 22 17 37 o 6.6080  0.3502 0.1275000      0.7004000 
1 1 1 22 17 38 o 2.0170  0.5620 0.5525000      1.124000  
1 1 1 22 17 39 o 3.9290  0.5175 0.5446000      1.035000  
1 1 1 22 17 40 o 3.3430  0.5656 1.292000       1.131000  
1 1 1 22 17 41 o 5.8030  0.3747 -0.5047000     0.7493000 
1 1 1 22 17 42 o 3.9110  0.5495 0.4084000      1.099000  
1 1 1 22 17 43 o 2.2790  0.6938 0.3831000      1.388000  
1 1 1 22 17 44 o 5.7280  0.5170 -0.2928000     1.034000  
1 1 1 22 17 45 o 3.4210  0.7284 3.436000       1.457000  
1 1 1 22 17 46 o 2.0480  0.6675 0.4484000      1.335000  
1 1 1 22 17 47 o 2.6650  0.7671 1.494000       1.534000  
1 1 1 22 17 48 o 2.7150  0.7742 1.164000       1.548000  
1 1 1 22 17 49 o 3.1830  0.7352 -0.6868000E-01 1.470000  
1 1 1 22 17 50 o 1.4360  0.5065 0.4022000      1.013000  
1 1 1 22 17 51 o 3.5330  0.7349 -0.4285000     1.470000  
1 1 1 22 18 0  o 1.4700  0.9431 0.000000       0.000000  
1 1 1 22 18 1  o 3.0950  0.6703 0.1515000      1.341000  
1 1 1 22 18 2  o 1.4950  0.5079 -0.4069000     1.016000  
1 1 1 22 18 3  o 6.0690  0.3866 -0.3042000     0.7733000 
1 1 1 22 18 4  o 3.6840  0.6251 0.1216000      1.250000  
1 1 1 22 18 5  o 2.5840  0.6351 -1.257000      1.270000  
1 1 1 22 18 6  o 2.4860  0.6412 0.8633000      1.282000  
1 1 1 22 18 7  o 2.9420  0.6654 -0.3570000     1.331000  
1 1 1 22 18 8  o 9.5680  0.2879 0.1830000E-01  0.5758000 
1 1 1 22 18 9  o 6.1300  0.4389 -1.032000      0.8778000 
1 1 1 22 18 10 o 8.6490  0.5341 0.6855000      1.068000  
1 1 1 22 18 11 o 3.1280  0.8247 0.5908000      1.649000  
1 1 1 22 18 12 o 5.2720  0.7401 2.407000       1.480000  
1 1 1 22 18 13 o 6.2400  0.3990 -0.4279000     0.7981000 
1 1 1 22 18 14 o 2.4340  0.6218 0.7950000      1.244000  
1 1 1 22 18 15 o 3.1270  0.5966 1.175000       1.193000  
1 1 1 22 18 16 o 7.7400  0.2816 -0.4222000     0.5632000 
1 1 1 22 18 17 o 1.8590  0.5622 0.5582000      1.124000  
1 1 1 22 18 18 o 10.450  0.2212 0.2051000      0.4424000 
1 1 1 22 18 19 f 3.9220  0.5074 0.1152000      1.015000  
1 1 1 22 18 20 o 7.2260  0.2757 -0.3029000     0.5514000 
1 1 1 22 18 21 o 1.9190  0.5701 -0.3377000     1.140000  
1 1 1 22 18 22 o 4.5940  0.4670 0.5557000      0.9340000 
1 1 1 22 18 23 o 9.7210  0.2423 -0.3332000     0.4846000 
1 1 1 22 18 24 o 14.180  0.2039 0.5421000E-01  0.4079000 
1 1 1 22 18 25 o 4.1720  0.4856 0.8291000      0.9711000 
1 1 1 22 18 26 o 7.9760  0.2526 -0.8635000     0.5053000 
1 1 1 22 18 27 o 8.8050  0.2279 0.2353000      0.4558000 
1 1 1 22 18 28 o 7.1800  0.2721 -0.3478000E-01 0.5442000 
1 1 1 22 18 29 o 4.9830  0.4734 0.2012000      0.9468000 
1 1 1 22 18 30 o 3.5120  0.6034 -2.112000      1.207000  
1 1 1 22 18 31 o 3.5420  0.5385 0.7398000      1.077000  
1 1 1 22 18 32 o 3.4740  0.5212 -2.180000      1.042000  
1 1 1 22 18 33 o 2.2580  0.6607 -1.216000      1.321000  
1 1 1 22 18 34 o 5.2470  0.4917 1.636000       0.9834000 
1 1 1 22 18 35 o 10.230  0.2984 0.6009000      0.5967000 
1 1 1 22 18 36 o 4.9060  0.5466 0.1220000      1.093000  
1 1 1 22 18 37 o 3.8150  0.5773 1.434000       1.155000  
1 1 1 22 18 38 o 4.3810  0.5374 0.8555000      1.075000  
1 1 1 22 18 39 o 2.6810  0.7331 0.6239000      1.466000  
1 1 1 22 18 40 o 2.1450  0.6414 -1.094000      1.283000  
1 1 1 22 18 41 o 6.4300  0.4814 0.1655000      0.9628000 
1 1 1 22 18 42 o 4.9060  0.6410 -0.8812000     1.282000  
1 1 1 22 18 43 o 5.0470  0.5805 1.749000       1.161000  
1 1 1 22 18 44 o 3.2140  0.8063 0.4874000      1.613000  
1 1 1 22 18 45 o 2.5270  0.7464 0.2827000      1.493000  
1 1 1 22 18 46 o 3.4240  0.8005 -0.2050000     1.601000  
1 1 1 22 18 47 o 3.4070  0.6974 -1.392000      1.395000  
1 1 1 22 18 48 o 3.0800  0.7519 0.9190000E-01  1.504000  
1 1 1 22 18 49 o 2.0750  0.6562 0.6063000      1.312000  
1 1 1 22 18 50 o 4.9280  1.3590 ?              ?         
1 1 1 22 19 0  o 7.3440  0.4714 0.000000       0.000000  
1 1 1 22 19 1  o 13.490  0.2085 0.4300000      0.4169000 
1 1 1 22 19 2  o 3.4340  0.6466 0.2481000E-01  1.293000  
1 1 1 22 19 3  o 5.7380  0.4118 -0.3376000     0.8236000 
1 1 1 22 19 4  o 15.930  0.2125 -0.7629000E-01 0.4250000 
1 1 1 22 19 5  o 2.4470  0.6560 0.4613000      1.312000  
1 1 1 22 19 6  o 9.7360  0.2572 0.3614000      0.5144000 
1 1 1 22 19 7  o 5.4480  0.4279 -0.4850000     0.8559000 
1 1 1 22 19 8  o 4.6320  0.5093 -0.2589000     1.019000  
1 1 1 22 19 9  o 7.9040  0.4082 -0.4591000     0.8164000 
1 1 1 22 19 10 o 7.9280  0.4292 0.3697000E-01  0.8584000 
1 1 1 22 19 11 o 3.0290  0.7195 0.6174000      1.439000  
1 1 1 22 19 12 o 2.0550  0.6603 0.1098000      1.321000  
1 1 1 22 19 13 o 7.5370  0.4650 -0.7494000E-01 0.9301000 
1 1 1 22 19 14 o 3.8720  0.5635 -0.4782000     1.127000  
1 1 1 22 19 15 o 4.0970  0.5221 -0.8597000E-01 1.044000  
1 1 1 22 19 16 o 9.8090  0.2323 -0.2699000     0.4645000 
1 1 1 22 19 17 o 3.9660  0.5223 -1.136000      1.045000  
1 1 1 22 19 18 o 2.4740  0.5992 -0.8809000     1.198000  
1 1 1 22 19 19 o 2.2640  0.5870 -1.019000      1.174000  
1 1 1 22 19 20 o 11.730  0.1949 -0.1780000     0.3899000 
1 1 1 22 19 21 o 8.3980  0.2738 -0.6731000     0.5476000 
1 1 1 22 19 22 o 11.130  0.2677 0.2329000      0.5353000 
1 1 1 22 19 23 o 3.5070  0.5395 1.648000       1.079000  
1 1 1 22 19 24 o 4.4030  0.4592 0.8335000      0.9183000 
1 1 1 22 19 25 o 3.6960  0.5121 0.5094000      1.024000  
1 1 1 22 19 26 o 4.1400  0.4748 1.079000       0.9495000 
1 1 1 22 19 27 o 2.6880  0.5316 1.403000       1.063000  
1 1 1 22 19 28 o 2.0950  0.5752 -0.1366000     1.150000  
1 1 1 22 19 29 o 5.0550  0.3739 0.5895000      0.7478000 
1 1 1 22 19 30 o 6.2900  0.4566 0.6122000E-01  0.9133000 
1 1 1 22 19 31 o 3.7700  0.7881 -0.8729000     1.576000  
1 1 1 22 19 32 o 3.5680  0.5277 -1.902000      1.055000  
1 1 1 22 19 33 o 6.8010  0.3653 -1.010000      0.7307000 
1 1 1 22 19 34 o 2.7540  0.6165 1.117000       1.233000  
1 1 1 22 19 35 o 7.3660  0.3308 0.2674000      0.6615000 
1 1 1 22 19 36 o 8.1620  0.2877 -0.4154000     0.5753000 
1 1 1 22 19 37 o 3.8140  0.7323 0.5862000      1.465000  
1 1 1 22 19 38 o 3.2780  0.7579 0.5941000      1.516000  
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1 1 1 22 19 40 o 3.4180  0.7544 -0.5323000     1.509000  
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1 1 1 22 20 3  o 5.5190  0.4254 0.5822000      0.8509000 
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1 1 1 22 20 7  o 7.1760  0.3146 0.4600000      0.6292000 
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1 1 1 22 20 11 o 9.1210  0.3216 0.6977000      0.6432000 
1 1 1 22 20 12 o 8.0090  0.3380 0.2463000      0.6760000 
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1 1 1 22 20 15 o 7.0410  0.2958 -0.1967000     0.5916000 
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1 1 1 22 20 18 o 2.2620  0.5987 -0.5944000     1.197000  
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1 1 1 22 20 20 o 3.1150  0.6261 0.9990000E-01  1.252000  
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1 1 1 22 21 0  o 5.0630  0.5746 0.000000       0.000000  
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1 1 1 22 21 3  o 6.8970  0.3009 0.6643000      0.6017000 
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1 1 1 22 21 7  o 5.9030  0.4513 1.066000       0.9027000 
1 1 1 22 21 8  o 5.4630  0.4775 0.4929000      0.9550000 
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1 1 1 22 21 13 o 6.2690  0.3366 -0.2473000     0.6731000 
1 1 1 22 21 14 o 2.5220  0.6316 1.142000       1.263000  
1 1 1 22 21 15 o 5.3520  0.4890 -0.3924000     0.9779000 
1 1 1 22 21 16 o 8.9500  0.2294 -0.6915000     0.4588000 
1 1 1 22 21 17 o 4.7240  0.4099 -0.8773000     0.8198000 
1 1 1 22 21 18 f 2.1400  0.6045 -0.7212000     1.209000  
1 1 1 22 21 19 o 2.8590  0.7083 -0.6428000     1.417000  
1 1 1 22 21 20 o 3.8820  0.4972 -0.3623000     0.9944000 
1 1 1 22 21 21 o 2.2530  0.6038 -0.2149000     1.208000  
1 1 1 22 21 22 o 10.510  0.2171 -0.5177000     0.4342000 
1 1 1 22 21 23 o 3.4470  0.5729 -0.2752000     1.146000  
1 1 1 22 21 24 o 2.4770  0.6143 -0.5766000     1.229000  
1 1 1 22 21 25 o 4.3470  0.4560 0.2008000      0.9120000 
1 1 1 22 21 26 o 2.4940  0.5866 -1.159000      1.173000  
1 1 1 22 21 27 o 6.3600  0.3150 -1.058000      0.6300000 
1 1 1 22 21 28 o 4.5650  0.5010 -1.449000      1.002000  
1 1 1 22 21 29 o 2.4700  0.6301 -0.6963000     1.260000  
1 1 1 22 21 30 o 3.6050  0.5355 1.419000       1.071000  
1 1 1 22 21 31 o 2.6320  0.6238 0.8272000      1.248000  
1 1 1 22 21 32 o 2.7800  0.6076 -1.570000      1.215000  
1 1 1 22 21 33 o 2.5510  0.7395 -0.4647000     1.479000  
1 1 1 22 21 34 o 2.2990  0.6089 1.057000       1.218000  
1 1 1 22 21 35 o 2.9320  0.5744 -0.2217000     1.149000  
1 1 1 22 21 36 o 3.1230  0.5459 0.5545000      1.092000  
1 1 1 22 21 37 o 1.8990  0.5755 0.2240000      1.151000  
1 1 1 22 21 38 o 3.2790  0.7632 -0.7850000     1.526000  
1 1 1 22 21 39 o 4.7900  0.6680 2.728000       1.336000  
1 1 1 22 21 40 f 2.3740  0.7010 1.379000       1.402000  
1 1 1 22 21 41 o 2.8360  0.7855 -0.9226000     1.571000  
1 1 1 22 21 42 o 2.6550  0.7546 0.3091000      1.509000  
1 1 1 22 21 43 o 5.6760  0.6006 -1.097000      1.201000  
1 1 1 22 21 44 o 3.5290  0.7574 1.345000       1.515000  
1 1 1 22 21 45 o 2.6050  0.7769 -0.2452000     1.554000  
1 1 1 22 22 0  o 1.3060  0.8998 0.000000       0.000000  
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1 1 1 22 22 4  o 2.4670  1.0690 0.000000       0.000000  
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1 1 1 22 22 36 o 5.1740  0.5700 0.000000       0.000000  
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1 1 1 23 0  10 o 7.2230  0.5563 0.000000       0.000000  
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1 1 1 23 0  12 o 8.8080  0.4620 0.000000       0.000000  
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1 1 1 23 0  36 o 10.0000 0.3961 0.000000       0.000000  
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1 1 1 23 1  1  o 6.5000  0.4437 -0.7115000     0.8873000 
1 1 1 23 1  2  o 6.1020  0.4319 -1.166000      0.8639000 
1 1 1 23 1  3  o 7.9130  0.3065 -0.3840000     0.6131000 
1 1 1 23 1  4  o 10.070  0.2657 0.3927000      0.5313000 
1 1 1 23 1  5  o 4.6100  0.5242 -1.626000      1.048000  
1 1 1 23 1  6  o 7.1910  0.3553 -0.2669000     0.7105000 
1 1 1 23 1  7  o 6.0120  0.4200 0.5409000      0.8401000 
1 1 1 23 1  8  o 13.590  0.2156 0.1872000      0.4312000 
1 1 1 23 1  9  o 20.600  0.1943 0.1748000      0.3886000 
1 1 1 23 1  10 o 23.030  0.1906 -0.5379000E-01 0.3813000 
1 1 1 23 1  11 o 3.2300  0.7092 1.220000       1.418000  
1 1 1 23 1  12 o 3.3610  0.7294 0.7366000      1.459000  
1 1 1 23 1  13 o 16.510  0.2138 0.5468000E-01  0.4275000 
1 1 1 23 1  14 o 6.0420  0.4837 -1.409000      0.9674000 
1 1 1 23 1  15 o 7.9610  0.3712 -0.9525000     0.7424000 
1 1 1 23 1  16 o 18.010  0.2396 -0.1978000     0.4791000 
1 1 1 23 1  17 o 13.700  0.3057 -0.1748000     0.6115000 
1 1 1 23 1  18 o 5.8010  0.6654 1.152000       1.331000  
1 1 1 23 1  19 o 13.160  0.2597 -1.232000      0.5193000 
1 1 1 23 1  20 o 3.7600  0.8669 0.7844000      1.734000  
1 1 1 23 1  21 o 7.5990  0.5381 1.135000       1.076000  
1 1 1 23 1  22 o 8.0010  0.5043 0.7978000      1.009000  
1 1 1 23 1  23 o 5.6460  0.8969 ?              ?         
1 1 1 23 1  24 o 3.9590  0.7983 0.1720000      1.597000  
1 1 1 23 1  25 o 9.0400  0.3911 -1.303000      0.7822000 
1 1 1 23 1  26 o 11.180  0.3283 0.1013000      0.6566000 
1 1 1 23 1  27 o 10.370  0.3480 -0.6233000     0.6961000 
1 1 1 23 1  28 o 3.3710  0.7998 -0.8086000     1.600000  
1 1 1 23 1  29 f 7.9980  0.4340 -1.706000      0.8680000 
1 1 1 23 1  30 o 16.460  0.2578 0.2858000      0.5156000 
1 1 1 23 1  31 o 4.6950  0.6945 -0.6739000     1.389000  
1 1 1 23 1  32 o 10.0000 0.3452 0.4615000      0.6903000 
1 1 1 23 1  33 o 6.4450  0.4633 1.019000       0.9266000 
1 1 1 23 1  34 o 13.330  0.2299 -0.2660000     0.4598000 
1 1 1 23 1  35 o 5.6480  0.4719 0.9335000      0.9437000 
1 1 1 23 1  36 o 10.070  0.2774 0.8833000E-01  0.5548000 
1 1 1 23 1  37 o 5.4630  0.4773 0.9730000      0.9546000 
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1 1 1 23 1  39 o 3.1800  0.6865 0.2451000      1.373000  
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1 1 1 23 1  41 o 10.590  0.2964 0.9102000      0.5929000 
1 1 1 23 1  42 o 2.2200  0.6721 0.8244000      1.344000  
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1 1 1 23 1  48 o 10.190  0.3138 -0.2078000     0.6276000 
1 1 1 23 1  49 o 3.1540  0.7088 0.2411000      1.418000  
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1 1 1 23 1  53 o 2.4570  0.6775 0.7718000      1.355000  
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1 1 1 23 1  55 o 1.6310  0.5449 0.3173000E-01  1.090000  
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1 1 1 23 2  0  o 12.710  0.3365 0.000000       0.000000  
1 1 1 23 2  1  o 9.1100  0.2874 0.6851000      0.5748000 
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1 1 1 23 2  9  o 19.970  0.1816 -0.1338000     0.3633000 
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1 1 1 23 2  11 o 27.730  0.1908 -0.3125000E-01 0.3816000 
1 1 1 23 2  12 o 24.170  0.1913 0.4312000E-01  0.3826000 
1 1 1 23 2  13 o 1.9620  0.6334 -0.1748000     1.267000  
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1 1 1 23 2  16 o 17.150  0.2760 -0.9507000     0.5520000 
1 1 1 23 2  17 o 15.550  0.3578 0.6804000      0.7155000 
1 1 1 23 2  18 o 5.0680  0.8365 0.2837000      1.673000  
1 1 1 23 2  19 o 3.2090  0.8937 0.4268000      1.787000  
1 1 1 23 2  20 o 13.030  0.3702 -0.5585000     0.7405000 
1 1 1 23 2  21 o 11.780  0.4374 -0.9870000     0.8748000 
1 1 1 23 2  22 o 5.1530  0.8675 2.032000       1.735000  
1 1 1 23 2  23 o 7.3890  0.6676 ?              ?         
1 1 1 23 2  24 o 8.1840  0.3992 0.9269000      0.7983000 
1 1 1 23 2  25 o 4.1470  0.7227 -0.6833000E-01 1.445000  
1 1 1 23 2  26 o 11.570  0.2928 -0.1347000     0.5856000 
1 1 1 23 2  27 o 8.4430  0.3781 -0.2812000     0.7563000 
1 1 1 23 2  28 f 8.9660  0.3550 -0.1345000     0.7100000 
1 1 1 23 2  29 o 4.8430  0.6304 -0.1682000     1.261000  
1 1 1 23 2  30 o 6.8720  0.4915 0.4620000      0.9829000 
1 1 1 23 2  31 o 4.1130  0.7436 -1.520000      1.487000  
1 1 1 23 2  32 o 11.470  0.3172 1.090000       0.6345000 
1 1 1 23 2  33 o 10.830  0.3009 0.2154000      0.6018000 
1 1 1 23 2  34 o 7.4380  0.4135 -1.163000      0.8270000 
1 1 1 23 2  35 o 5.3110  0.4899 0.2545000E-01  0.9798000 
1 1 1 23 2  36 o 2.3040  0.6661 -0.1353000     1.332000  
1 1 1 23 2  37 o 3.5160  0.6438 1.554000       1.288000  
1 1 1 23 2  38 o 7.1230  0.3625 0.3024000E-01  0.7251000 
1 1 1 23 2  39 o 11.720  0.2441 0.2531000      0.4882000 
1 1 1 23 2  40 o 2.4130  0.6691 0.4299000      1.338000  
1 1 1 23 2  41 o 6.7010  0.4321 -0.1486000     0.8643000 
1 1 1 23 2  42 o 13.110  0.2287 -0.3997000     0.4574000 
1 1 1 23 2  43 o 2.7230  0.6720 -1.329000      1.344000  
1 1 1 23 2  44 o 10.960  0.2897 0.1445000      0.5795000 
1 1 1 23 2  45 o 3.0240  0.8240 0.2659000      1.648000  
1 1 1 23 2  46 o 6.6890  0.5914 1.711000       1.183000  
1 1 1 23 2  47 o 1.9810  0.6251 -0.3078000     1.250000  
1 1 1 23 2  48 o 3.4190  0.6453 2.013000       1.291000  
1 1 1 23 2  49 o 6.7370  0.4382 -0.3981000     0.8765000 
1 1 1 23 2  50 o 2.4690  0.7282 0.8545000E-01  1.456000  
1 1 1 23 2  51 o 5.1460  0.5757 -1.490000      1.151000  
1 1 1 23 2  52 o 4.2260  0.6661 1.371000       1.332000  
1 1 1 23 2  53 o 2.5320  0.7030 -0.3109000     1.406000  
1 1 1 23 2  54 o 5.0000  0.6154 2.694000       1.231000  
1 1 1 23 2  55 o 4.4860  0.5600 -0.8921000     1.120000  
1 1 1 23 2  56 o 2.7320  0.6909 -0.6525000     1.382000  
1 1 1 23 2  57 o 2.7420  0.6784 0.8831000      1.357000  
1 1 1 23 2  58 o 3.8640  0.6159 -1.834000      1.232000  
1 1 1 23 2  59 o 2.9640  0.6704 -1.371000      1.341000  
1 1 1 23 3  0  o 9.0740  0.3776 0.000000       0.000000  
1 1 1 23 3  1  o 19.770  0.1661 0.7474000E-01  0.3322000 
1 1 1 23 3  2  o 9.2320  0.2987 -0.2563000     0.5975000 
1 1 1 23 3  3  o 11.310  0.2410 0.8187000E-01  0.4819000 
1 1 1 23 3  4  o 5.4060  0.4897 -1.570000      0.9794000 
1 1 1 23 3  5  o 5.8620  0.5048 -0.9131000     1.010000  
1 1 1 23 3  6  o 12.730  0.2522 0.2381000      0.5045000 
1 1 1 23 3  7  o 8.7660  0.3211 0.3238000      0.6421000 
1 1 1 23 3  8  o 16.440  0.1970 -0.1749000     0.3939000 
1 1 1 23 3  9  o 3.0710  0.6990 -0.6618000     1.398000  
1 1 1 23 3  10 o 16.770  0.1962 -0.1727000     0.3924000 
1 1 1 23 3  11 o 6.0930  0.4356 0.9934000      0.8712000 
1 1 1 23 3  12 o 2.2720  0.6321 -1.259000      1.264000  
1 1 1 23 3  13 o 19.320  0.2320 0.2139000      0.4641000 
1 1 1 23 3  14 o 15.620  0.4014 ?              ?         
1 1 1 23 3  15 o 16.100  0.2835 0.9909000E-01  0.5670000 
1 1 1 23 3  16 o 15.760  0.2913 -0.4092000     0.5827000 
1 1 1 23 3  17 f 19.020  0.3271 -0.1814000     0.6541000 
1 1 1 23 3  18 o 17.440  0.2732 -0.6409000     0.5464000 
1 1 1 23 3  19 o 11.550  0.3315 -0.4535000     0.6630000 
1 1 1 23 3  20 o 7.3340  0.4866 0.6131000      0.9732000 
1 1 1 23 3  21 o 7.6510  0.5349 -0.9272000E-01 1.070000  
1 1 1 23 3  22 o 10.140  0.4193 -0.5501000     0.8386000 
1 1 1 23 3  23 o 17.760  0.2863 ?              ?         
1 1 1 23 3  24 o 3.1510  0.7695 -0.2701000     1.539000  
1 1 1 23 3  25 o 9.3420  0.3463 0.6180000E-01  0.6925000 
1 1 1 23 3  26 o 9.6290  0.3362 -0.6985000     0.6724000 
1 1 1 23 3  27 o 2.6600  0.7398 -0.9268000     1.480000  
1 1 1 23 3  28 o 13.810  0.2632 1.293000       0.5265000 
1 1 1 23 3  29 o 11.610  0.2907 -0.6607000     0.5813000 
1 1 1 23 3  30 o 3.7090  0.6949 1.641000       1.390000  
1 1 1 23 3  31 o 11.820  0.2830 -0.3588000     0.5659000 
1 1 1 23 3  32 o 7.1570  0.4234 1.072000       0.8468000 
1 1 1 23 3  33 o 11.420  0.2892 0.6958000E-01  0.5784000 
1 1 1 23 3  34 o 9.0400  0.3429 0.2525000      0.6858000 
1 1 1 23 3  35 o 3.5400  0.6777 0.8812000      1.355000  
1 1 1 23 3  36 o 3.8120  0.6629 -0.5137000     1.326000  
1 1 1 23 3  37 o 2.3420  0.6688 0.3716000      1.338000  
1 1 1 23 3  38 o 2.1180  0.6347 -0.7732000     1.269000  
1 1 1 23 3  39 o 7.6620  0.3862 0.5091000      0.7724000 
1 1 1 23 3  40 o 8.1390  0.4008 -0.8968000     0.8017000 
1 1 1 23 3  41 o 6.9850  0.4187 0.6048000      0.8375000 
1 1 1 23 3  42 o 4.4140  0.6313 -0.5274000     1.263000  
1 1 1 23 3  43 o 7.7050  0.4078 0.4362000      0.8156000 
1 1 1 23 3  44 o 2.5910  0.6708 1.636000       1.342000  
1 1 1 23 3  45 o 1.8910  0.6435 -0.4799000     1.287000  
1 1 1 23 3  46 f 3.5510  0.8685 ?              ?         
1 1 1 23 3  47 o 2.5420  0.7194 -2.230000      1.439000  
1 1 1 23 3  48 o 5.6360  0.5421 -0.3892000     1.084000  
1 1 1 23 3  49 o 4.7110  0.5723 1.608000       1.145000  
1 1 1 23 3  50 o 4.8920  0.5367 -0.4149000     1.073000  
1 1 1 23 3  51 o 3.1970  0.6456 -1.400000      1.291000  
1 1 1 23 3  52 o 1.7280  0.5606 0.1197000      1.121000  
1 1 1 23 3  53 o 2.4940  0.6514 0.6009000      1.303000  
1 1 1 23 3  54 o 5.1520  0.4713 0.2342000      0.9427000 
1 1 1 23 3  55 o 1.9630  0.5880 0.8376000      1.176000  
1 1 1 23 3  56 o 3.1240  0.6762 -0.2624000     1.352000  
1 1 1 23 3  57 f 1.8480  0.5958 0.3455000      1.192000  
1 1 1 23 3  58 o 2.3830  0.6063 1.561000       1.213000  
1 1 1 23 3  59 o 2.5160  0.6799 0.1241000E-01  1.360000  
1 1 1 23 4  0  o 9.8610  0.4963 0.000000       0.000000  
1 1 1 23 4  1  o 13.040  0.2637 -0.8622000E-01 0.5275000 
1 1 1 23 4  2  f 21.770  0.1857 0.8698000      0.3714000 
1 1 1 23 4  3  o 11.720  0.2375 0.7212000E-01  0.4750000 
1 1 1 23 4  4  o 14.900  0.2166 -0.2361000     0.4333000 
1 1 1 23 4  5  o 11.030  0.2482 0.1905000      0.4965000 
1 1 1 23 4  6  o 9.4680  0.2839 0.2127000      0.5678000 
1 1 1 23 4  7  o 15.450  0.2290 -0.1676000     0.4580000 
1 1 1 23 4  8  o 7.0310  0.3776 0.4278000      0.7552000 
1 1 1 23 4  9  o 10.110  0.2895 -0.5118000     0.5790000 
1 1 1 23 4  10 o 15.710  0.2368 0.3949000      0.4736000 
1 1 1 23 4  11 o 6.1680  0.5166 0.1062000      1.033000  
1 1 1 23 4  12 o 14.140  0.2706 0.7357000      0.5411000 
1 1 1 23 4  13 o 12.570  0.2936 0.5456000      0.5872000 
1 1 1 23 4  14 o 13.470  0.3195 0.3180000      0.6390000 
1 1 1 23 4  15 o 24.400  0.2220 0.3449000E-01  0.4440000 
1 1 1 23 4  16 o 10.090  0.4616 -1.530000      0.9233000 
1 1 1 23 4  17 o 2.5120  0.7565 -0.8452000     1.513000  
1 1 1 23 4  18 o 12.220  0.3654 0.6796000      0.7308000 
1 1 1 23 4  19 o 13.140  0.2993 -0.7819000     0.5986000 
1 1 1 23 4  20 o 7.9790  0.5145 -0.2168000     1.029000  
1 1 1 23 4  21 o 18.990  0.2921 0.4787000      0.5842000 
1 1 1 23 4  22 o 4.1160  0.8078 0.5435000      1.616000  
1 1 1 23 4  23 o 12.310  0.2868 0.6081000      0.5736000 
1 1 1 23 4  24 o 4.9000  0.6680 2.105000       1.336000  
1 1 1 23 4  25 o 4.5790  0.6807 -0.7076000     1.361000  
1 1 1 23 4  26 o 9.7150  0.4073 ?              ?         
1 1 1 23 4  27 o 5.5830  0.5563 -0.4416000     1.113000  
1 1 1 23 4  28 o 12.850  0.2707 -0.1843000     0.5414000 
1 1 1 23 4  29 o 6.4450  0.4681 -0.7543000     0.9362000 
1 1 1 23 4  30 o 3.0950  0.7542 -0.1798000E-01 1.508000  
1 1 1 23 4  31 o 4.0090  0.7161 -2.373000      1.432000  
1 1 1 23 4  32 o 11.250  0.2885 -0.1602000     0.5770000 
1 1 1 23 4  33 o 5.2360  0.5526 -0.7117000     1.105000  
1 1 1 23 4  34 o 1.9670  0.6302 -0.9047000     1.260000  
1 1 1 23 4  35 o 7.8910  0.3766 -0.5323000     0.7532000 
1 1 1 23 4  36 o 8.0800  0.3723 0.3672000      0.7446000 
1 1 1 23 4  37 o 7.4130  0.3649 0.5858000      0.7298000 
1 1 1 23 4  38 o 4.6830  0.6193 0.3620000      1.239000  
1 1 1 23 4  39 o 2.8220  0.6824 -0.9893000     1.365000  
1 1 1 23 4  40 f 3.6140  0.6442 -1.336000      1.288000  
1 1 1 23 4  41 o 3.8650  0.6151 1.569000       1.230000  
1 1 1 23 4  42 o 6.0770  0.4700 -1.107000      0.9400000 
1 1 1 23 4  43 o 7.9110  0.3550 0.6187000      0.7101000 
1 1 1 23 4  44 o 1.4530  0.5051 0.1411000      1.010000  
1 1 1 23 4  45 o 2.4940  0.7144 0.2705000      1.429000  
1 1 1 23 4  46 o 2.2250  0.6735 0.2544000      1.347000  
1 1 1 23 4  47 o 3.4450  0.8009 0.2149000      1.602000  
1 1 1 23 4  48 f 6.2270  0.4102 0.3604000      0.8204000 
1 1 1 23 4  49 o 3.4550  0.6808 0.2919000      1.362000  
1 1 1 23 4  50 o 3.3550  0.5848 2.887000       1.170000  
1 1 1 23 4  51 o 3.3700  0.6261 -1.736000      1.252000  
1 1 1 23 4  52 o 3.1900  0.6386 1.015000       1.277000  
1 1 1 23 4  53 o 5.9450  0.4130 1.051000       0.8259000 
1 1 1 23 4  54 o 2.1570  0.6227 0.4821000      1.245000  
1 1 1 23 4  55 o 2.2510  0.6323 -0.1140000     1.265000  
1 1 1 23 4  56 o 3.4840  0.6137 1.005000       1.227000  
1 1 1 23 4  57 o 5.0540  0.4587 -0.3720000     0.9173000 
1 1 1 23 4  58 o 2.7690  0.6300 -1.447000      1.260000  
1 1 1 23 5  0  o 8.1630  0.4748 0.000000       0.000000  
1 1 1 23 5  1  o 19.110  0.1902 0.1823000      0.3804000 
1 1 1 23 5  2  f 4.1110  0.6454 -0.2439000     1.291000  
1 1 1 23 5  3  o 3.3470  0.6826 -1.589000      1.365000  
1 1 1 23 5  4  f 12.190  0.2304 0.4214000      0.4609000 
1 1 1 23 5  5  o 5.4030  0.5139 0.9957000      1.028000  
1 1 1 23 5  6  o 14.120  0.2149 0.6401000      0.4298000 
1 1 1 23 5  7  o 16.070  0.2004 -0.5200000     0.4007000 
1 1 1 23 5  8  o 4.7170  0.6249 0.2939000      1.250000  
1 1 1 23 5  9  o 4.1000  0.7930 -1.267000      1.586000  
1 1 1 23 5  10 o 23.430  0.2178 0.3242000      0.4355000 
1 1 1 23 5  11 o 6.4080  0.5178 -0.2632000     1.036000  
1 1 1 23 5  12 o 6.6760  0.5100 1.532000       1.020000  
1 1 1 23 5  13 o 13.290  0.2548 0.4267000      0.5096000 
1 1 1 23 5  14 o 10.620  0.3364 0.7860000E-01  0.6728000 
1 1 1 23 5  15 o 7.8240  0.6117 -0.2029000     1.223000  
1 1 1 23 5  16 o 6.0570  0.5651 -0.1250000     1.130000  
1 1 1 23 5  17 o 15.530  0.3133 0.1594000      0.6266000 
1 1 1 23 5  18 o 21.300  0.2768 0.2794000      0.5537000 
1 1 1 23 5  19 o 4.6600  0.7313 -1.231000      1.463000  
1 1 1 23 5  20 o 10.510  0.4246 1.350000       0.8491000 
1 1 1 23 5  21 f 10.140  0.4032 -0.5288000     0.8065000 
1 1 1 23 5  22 o 2.4470  0.7209 0.6431000      1.442000  
1 1 1 23 5  23 o 8.2330  0.3982 0.4575000      0.7964000 
1 1 1 23 5  24 f 11.410  0.3068 1.468000       0.6136000 
1 1 1 23 5  25 o 17.810  0.2309 0.8792000E-01  0.4618000 
1 1 1 23 5  26 o 4.1670  0.7159 0.2925000      1.432000  
1 1 1 23 5  27 o 10.430  0.3133 -0.7266000     0.6266000 
1 1 1 23 5  28 o 5.1650  0.5836 -0.9200000     1.167000  
1 1 1 23 5  29 o 5.1990  0.5929 -0.5376000E-01 1.186000  
1 1 1 23 5  30 f 12.210  0.2784 -0.2517000     0.5568000 
1 1 1 23 5  31 o 9.5710  0.3019 0.5082000      0.6039000 
1 1 1 23 5  32 o 13.430  0.2333 -0.1386000     0.4667000 
1 1 1 23 5  33 o 4.2700  0.6176 1.484000       1.235000  
1 1 1 23 5  34 o 2.9300  0.6787 -1.381000      1.357000  
1 1 1 23 5  35 o 4.2020  0.6122 0.6643000      1.224000  
1 1 1 23 5  36 o 3.3400  0.6617 -0.5714000     1.323000  
1 1 1 23 5  37 o 8.4090  0.3134 -0.4480000     0.6268000 
1 1 1 23 5  38 o 8.5030  0.3143 -0.7325000     0.6285000 
1 1 1 23 5  39 o 5.7070  0.4451 -1.417000      0.8903000 
1 1 1 23 5  40 o 3.5000  0.6464 1.225000       1.293000  
1 1 1 23 5  41 f 4.8950  0.5676 0.3028000      1.135000  
1 1 1 23 5  42 o 5.8830  0.4730 0.5784000      0.9459000 
1 1 1 23 5  43 o 10.640  0.2858 -1.148000      0.5716000 
1 1 1 23 5  44 o 6.3150  0.4033 0.3533000      0.8067000 
1 1 1 23 5  45 o 2.1110  0.6847 -0.5332000     1.369000  
1 1 1 23 5  46 o 4.1550  0.7719 -0.5150000     1.544000  
1 1 1 23 5  47 o 5.4540  0.4774 -0.4552000     0.9548000 
1 1 1 23 5  48 f 4.0740  0.6713 -0.2033000     1.343000  
1 1 1 23 5  49 o 3.0680  0.6468 -1.750000      1.294000  
1 1 1 23 5  50 o 2.1590  0.6174 0.2329000      1.235000  
1 1 1 23 5  51 o 7.2350  0.3067 0.5195000      0.6134000 
1 1 1 23 5  52 o 8.2450  0.2737 -0.2599000     0.5474000 
1 1 1 23 5  53 o 5.2760  0.4108 -1.198000      0.8216000 
1 1 1 23 5  54 o 2.4860  0.6125 -1.198000      1.225000  
1 1 1 23 5  55 o 1.8870  0.5822 0.1956000      1.164000  
1 1 1 23 5  56 o 4.0570  0.5630 1.356000       1.126000  
1 1 1 23 5  57 o 2.6250  0.6533 0.4954000      1.307000  
1 1 1 23 5  58 o 4.0270  0.5829 0.4007000      1.166000  
1 1 1 23 6  0  o 28.060  0.2617 0.000000       0.000000  
1 1 1 23 6  1  o 20.740  0.2156 0.4692000      0.4312000 
1 1 1 23 6  2  o 13.440  0.2303 -0.1628000     0.4605000 
1 1 1 23 6  3  o 8.7970  0.3188 -0.7553000     0.6375000 
1 1 1 23 6  4  o 12.050  0.2513 0.8273000      0.5026000 
1 1 1 23 6  5  o 2.0930  0.6481 0.4810000      1.296000  
1 1 1 23 6  6  o 27.310  0.1775 -0.4990000E-01 0.3551000 
1 1 1 23 6  7  o 3.5400  0.7291 -0.6313000E-01 1.458000  
1 1 1 23 6  8  o 24.510  0.2079 0.2440000      0.4158000 
1 1 1 23 6  9  o 11.020  0.3197 -0.1288000     0.6393000 
1 1 1 23 6  10 o 9.9260  0.4622 0.1091000      0.9243000 
1 1 1 23 6  11 o 6.9190  0.5042 0.5624000      1.008000  
1 1 1 23 6  12 o 7.5010  0.5655 1.782000       1.131000  
1 1 1 23 6  13 o 13.630  0.2874 0.8855000      0.5749000 
1 1 1 23 6  14 o 12.930  0.3081 1.084000       0.6162000 
1 1 1 23 6  15 o 4.6580  0.7288 0.6351000E-01  1.458000  
1 1 1 23 6  16 o 8.0070  0.4520 -0.4692000     0.9039000 
1 1 1 23 6  17 o 18.690  0.2824 -0.3600000     0.5647000 
1 1 1 23 6  18 o 13.000  0.3418 -0.2471000     0.6835000 
1 1 1 23 6  19 o 2.5650  0.7491 0.4163000      1.498000  
1 1 1 23 6  20 o 3.2590  0.7903 -2.887000      1.581000  
1 1 1 23 6  21 o 13.130  0.3449 0.3230000      0.6897000 
1 1 1 23 6  22 o 9.9940  0.3384 0.4170000      0.6769000 
1 1 1 23 6  23 o 5.8480  0.5441 0.3164000      1.088000  
1 1 1 23 6  24 o 9.7230  0.3319 -1.205000      0.6638000 
1 1 1 23 6  25 o 11.620  0.2948 0.5521000      0.5895000 
1 1 1 23 6  26 o 9.3440  0.3424 0.8498000E-02  0.6848000 
1 1 1 23 6  27 o 2.3370  0.6735 0.7978000      1.347000  
1 1 1 23 6  28 o 9.2270  0.3492 0.4757000      0.6984000 
1 1 1 23 6  29 o 5.4790  0.5694 0.6782000      1.139000  
1 1 1 23 6  30 f 6.8210  0.4008 0.9521000      0.8016000 
1 1 1 23 6  31 o 5.4090  0.4959 -1.347000      0.9917000 
1 1 1 23 6  32 o 3.4150  0.6847 0.6115000      1.369000  
1 1 1 23 6  33 o 2.4330  0.6776 0.2172000      1.355000  
1 1 1 23 6  34 o 6.9780  0.3764 0.3498000      0.7529000 
1 1 1 23 6  35 o 4.2890  0.6004 -0.1044000     1.201000  
1 1 1 23 6  36 o 5.0130  0.5178 -1.316000      1.036000  
1 1 1 23 6  37 o 7.6640  0.3383 -0.1191000     0.6766000 
1 1 1 23 6  38 o 3.3660  0.5898 2.432000       1.180000  
1 1 1 23 6  39 o 3.6180  0.7046 -1.086000      1.409000  
1 1 1 23 6  40 o 6.7010  0.3896 -1.616000      0.7792000 
1 1 1 23 6  41 o 3.4300  0.8133 -0.3935000     1.627000  
1 1 1 23 6  42 f 3.5670  0.7437 -1.495000      1.487000  
1 1 1 23 6  43 o 2.6510  0.6764 -1.388000      1.353000  
1 1 1 23 6  44 o 3.1450  0.7872 1.124000       1.574000  
1 1 1 23 6  45 o 2.5430  0.7698 0.4667000      1.540000  
1 1 1 23 6  46 o 8.7140  0.4345 -0.6961000     0.8689000 
1 1 1 23 6  47 o 3.3020  0.7093 -0.1746000     1.419000  
1 1 1 23 6  48 o 2.7040  0.7455 1.348000       1.491000  
1 1 1 23 6  49 o 2.6390  0.6239 -1.668000      1.248000  
1 1 1 23 6  50 o 2.3870  0.6508 -0.8482000     1.302000  
1 1 1 23 6  51 o 2.4580  0.6796 -0.8577000E-01 1.359000  
1 1 1 23 6  52 o 2.0980  0.6428 0.1584000      1.286000  
1 1 1 23 6  53 o 10.390  0.2962 0.3270000      0.5924000 
1 1 1 23 6  54 o 4.2540  0.6547 0.7243000      1.309000  
1 1 1 23 6  55 o 6.0980  0.4803 -0.3890000     0.9605000 
1 1 1 23 6  56 o 1.6270  0.5553 0.3473000      1.111000  
1 1 1 23 6  57 o 3.6890  0.5834 1.680000       1.167000  
1 1 1 23 6  58 o 2.5260  0.6544 -0.2550000     1.309000  
1 1 1 23 7  0  o 9.7360  0.4192 0.000000       0.000000  
1 1 1 23 7  1  o 8.5110  0.3336 0.1158000E-01  0.6671000 
1 1 1 23 7  2  o 8.2730  0.3458 0.1909000      0.6916000 
1 1 1 23 7  3  o 28.420  0.1880 0.2097000      0.3760000 
1 1 1 23 7  4  o 8.6080  0.3360 1.283000       0.6719000 
1 1 1 23 7  5  o 6.0830  0.5532 -2.254000      1.106000  
1 1 1 23 7  6  o 18.230  0.2043 -0.1097000     0.4086000 
1 1 1 23 7  7  o 9.1450  0.3336 -0.1959000     0.6671000 
1 1 1 23 7  8  o 18.630  0.2541 0.2008000      0.5081000 
1 1 1 23 7  9  o 9.1450  0.3920 -0.6797000     0.7839000 
1 1 1 23 7  10 o 16.290  0.2747 -0.9871000     0.5494000 
1 1 1 23 7  11 o 10.690  0.3284 0.3551000      0.6569000 
1 1 1 23 7  12 o 10.820  0.4550 ?              ?         
1 1 1 23 7  13 o 12.640  0.3817 -0.5235000     0.7633000 
1 1 1 23 7  14 o 13.320  0.3134 0.2779000      0.6268000 
1 1 1 23 7  15 o 13.140  0.3065 1.026000       0.6130000 
1 1 1 23 7  16 o 5.4880  0.6499 0.5134000      1.300000  
1 1 1 23 7  17 o 12.410  0.3169 -0.7249000E-01 0.6338000 
1 1 1 23 7  18 o 11.110  0.3025 -0.2180000     0.6050000 
1 1 1 23 7  19 o 3.0900  0.7655 -1.649000      1.531000  
1 1 1 23 7  20 o 6.7080  0.5807 -0.9218000     1.161000  
1 1 1 23 7  21 o 7.9330  0.5029 -0.4168000     1.006000  
1 1 1 23 7  22 o 6.2100  0.5034 -0.1405000     1.007000  
1 1 1 23 7  23 o 2.8260  0.7411 -1.346000      1.482000  
1 1 1 23 7  24 o 2.4650  0.7256 -0.2784000     1.451000  
1 1 1 23 7  25 o 22.800  0.2165 0.2211000      0.4330000 
1 1 1 23 7  26 o 10.030  0.3324 0.7689000      0.6648000 
1 1 1 23 7  27 o 3.4330  0.7402 -1.642000      1.480000  
1 1 1 23 7  28 o 8.7740  0.3616 0.8122000      0.7231000 
1 1 1 23 7  29 o 2.8620  0.7187 -0.1156000     1.437000  
1 1 1 23 7  30 o 3.3640  0.6987 0.4450000      1.397000  
1 1 1 23 7  31 o 5.1480  0.5170 -1.341000      1.034000  
1 1 1 23 7  32 o 6.2360  0.4411 1.799000       0.8821000 
1 1 1 23 7  33 o 8.2140  0.3223 -0.5844000E-01 0.6446000 
1 1 1 23 7  34 o 7.2480  0.3556 -0.2344000     0.7112000 
1 1 1 23 7  35 o 6.6550  0.3934 0.8552000      0.7868000 
1 1 1 23 7  36 o 3.1960  0.6879 0.1452000      1.376000  
1 1 1 23 7  37 o 6.4830  0.3631 -0.1234000     0.7262000 
1 1 1 23 7  38 o 4.2490  0.5863 -1.220000      1.173000  
1 1 1 23 7  39 o 13.610  0.2113 0.4766000      0.4226000 
1 1 1 23 7  40 o 8.0750  0.3431 -0.7584000     0.6862000 
1 1 1 23 7  41 o 2.9350  0.6765 -0.6771000     1.353000  
1 1 1 23 7  42 o 4.2350  0.6310 -0.9963000     1.262000  
1 1 1 23 7  43 o 4.1320  0.5335 -2.713000      1.067000  
1 1 1 23 7  44 o 4.5670  0.6075 -0.9881000     1.215000  
1 1 1 23 7  45 o 6.9230  0.3624 0.3110000      0.7249000 
1 1 1 23 7  46 o 2.3600  0.6494 0.1210000      1.299000  
1 1 1 23 7  47 o 2.6940  0.5376 2.139000       1.075000  
1 1 1 23 7  48 o 2.7030  0.6428 0.4306000      1.286000  
1 1 1 23 7  49 o 1.9100  0.5701 0.7178000      1.140000  
1 1 1 23 7  50 o 3.4320  0.5772 1.043000       1.154000  
1 1 1 23 7  51 o 2.3850  0.6065 0.7920000      1.213000  
1 1 1 23 7  52 o 2.3470  0.6213 -0.1629000     1.243000  
1 1 1 23 7  53 f 1.5460  0.5128 -0.4011000     1.026000  
1 1 1 23 7  54 o 7.4380  0.3030 0.1481000      0.6059000 
1 1 1 23 7  55 o 5.4960  0.4107 0.7026000      0.8214000 
1 1 1 23 7  56 o 3.6850  0.5919 0.1870000      1.184000  
1 1 1 23 7  57 o 3.8610  0.5701 -0.6348000     1.140000  
1 1 1 23 8  0  o 37.250  0.2882 0.000000       0.000000  
1 1 1 23 8  1  o 7.7930  0.3737 -0.2791000     0.7474000 
1 1 1 23 8  2  o 13.660  0.2372 0.1209000      0.4743000 
1 1 1 23 8  3  o 10.820  0.2818 -0.2816000     0.5636000 
1 1 1 23 8  4  o 13.860  0.2359 -0.3754000E-01 0.4717000 
1 1 1 23 8  5  o 6.3130  0.4529 -0.7209000     0.9059000 
1 1 1 23 8  6  o 18.680  0.2020 -0.2991000     0.4040000 
1 1 1 23 8  7  o 10.480  0.3409 0.7970000      0.6818000 
1 1 1 23 8  8  o 10.350  0.3737 0.4915000      0.7475000 
1 1 1 23 8  9  o 20.020  0.2502 -0.9186000E-01 0.5004000 
1 1 1 23 8  10 o 6.4980  0.4557 0.9352000      0.9114000 
1 1 1 23 8  11 o 8.7790  0.3456 1.189000       0.6912000 
1 1 1 23 8  12 o 14.960  0.2852 -0.6035000E-01 0.5704000 
1 1 1 23 8  13 o 7.7140  0.5221 0.7706000      1.044000  
1 1 1 23 8  14 f 3.5780  0.7870 1.215000       1.574000  
1 1 1 23 8  15 o 10.370  0.3405 0.8051000      0.6810000 
1 1 1 23 8  16 o 3.0670  0.7761 -0.7089000     1.552000  
1 1 1 23 8  17 o 11.590  0.2904 0.1064000      0.5808000 
1 1 1 23 8  18 o 9.6820  0.3028 0.4729000      0.6057000 
1 1 1 23 8  19 o 11.580  0.2867 0.9133000      0.5735000 
1 1 1 23 8  20 o 8.8440  0.3459 0.3606000      0.6917000 
1 1 1 23 8  21 o 10.640  0.3316 0.7765000      0.6631000 
1 1 1 23 8  22 o 10.890  0.3152 1.055000       0.6304000 
1 1 1 23 8  23 o 12.740  0.2758 0.5437000E-01  0.5517000 
1 1 1 23 8  24 o 11.600  0.2972 0.4505000      0.5945000 
1 1 1 23 8  25 o 4.2280  0.6990 -1.665000      1.398000  
1 1 1 23 8  26 o 15.170  0.2471 -0.3052000     0.4942000 
1 1 1 23 8  27 o 3.9470  0.7183 -0.3783000     1.437000  
1 1 1 23 8  28 o 3.2250  0.7379 -1.346000      1.476000  
1 1 1 23 8  29 o 1.9590  0.6198 -0.3307000E-01 1.240000  
1 1 1 23 8  30 o 6.5430  0.4001 -0.3913000     0.8002000 
1 1 1 23 8  31 o 8.2610  0.3278 0.4003000      0.6557000 
1 1 1 23 8  32 o 9.5030  0.2895 0.3269000      0.5790000 
1 1 1 23 8  33 o 4.1870  0.6078 -0.9836000     1.216000  
1 1 1 23 8  34 o 3.0390  0.6240 1.531000       1.248000  
1 1 1 23 8  35 o 2.4280  0.6212 -1.124000      1.242000  
1 1 1 23 8  36 o 2.5070  0.6507 0.6415000      1.301000  
1 1 1 23 8  37 o 8.1430  0.2698 -0.2898000     0.5395000 
1 1 1 23 8  38 o 6.1190  0.3436 -0.6353000     0.6871000 
1 1 1 23 8  39 o 5.6480  0.3690 0.9662000E-01  0.7380000 
1 1 1 23 8  40 o 4.9010  0.5308 1.930000       1.062000  
1 1 1 23 8  41 f 4.5780  0.6140 0.8460000      1.228000  
1 1 1 23 8  42 o 2.5280  0.6301 -0.3507000     1.260000  
1 1 1 23 8  43 o 2.1620  0.5585 1.224000       1.117000  
1 1 1 23 8  44 o 3.9060  0.6252 0.3076000      1.250000  
1 1 1 23 8  45 o 5.7060  0.3893 -0.1506000     0.7786000 
1 1 1 23 8  46 o 3.4790  0.5956 0.1203000      1.191000  
1 1 1 23 8  47 o 2.6530  0.6208 0.3696000      1.242000  
1 1 1 23 8  48 o 4.0920  0.5204 -1.221000      1.041000  
1 1 1 23 8  49 o 2.7900  0.6280 -0.3135000     1.256000  
1 1 1 23 8  50 o 7.7530  0.2753 0.1177000      0.5507000 
1 1 1 23 8  51 o 4.6450  0.4459 -0.3360000E-01 0.8917000 
1 1 1 23 8  52 o 1.9430  0.5958 -0.5591000     1.192000  
1 1 1 23 8  53 o 7.4130  0.3045 1.286000       0.6091000 
1 1 1 23 8  54 o 1.9160  0.5819 -0.1015000     1.164000  
1 1 1 23 8  55 o 2.5180  0.6146 0.6214000      1.229000  
1 1 1 23 8  56 o 5.3320  0.4659 0.8670000      0.9317000 
1 1 1 23 8  57 o 3.5560  0.5983 -0.9517000     1.197000  
1 1 1 23 9  0  o 16.110  0.3837 0.000000       0.000000  
1 1 1 23 9  1  o 9.6450  0.3137 0.2691000      0.6274000 
1 1 1 23 9  2  o 15.120  0.2264 0.2116000      0.4527000 
1 1 1 23 9  3  o 5.9300  0.4912 -0.5006000     0.9824000 
1 1 1 23 9  4  o 13.260  0.2460 0.6741000      0.4919000 
1 1 1 23 9  5  o 7.0280  0.4173 0.4701000      0.8346000 
1 1 1 23 9  6  o 14.720  0.2543 -0.4122000     0.5086000 
1 1 1 23 9  7  f 13.950  0.3006 0.2225000      0.6012000 
1 1 1 23 9  8  o 11.070  0.3568 0.2306000      0.7136000 
1 1 1 23 9  9  o 4.9150  0.8603 -1.135000      1.721000  
1 1 1 23 9  10 o 7.5530  0.4475 0.3680000      0.8950000 
1 1 1 23 9  11 o 4.7850  0.8717 1.365000       1.743000  
1 1 1 23 9  12 o 5.1870  0.7146 2.350000       1.429000  
1 1 1 23 9  13 o 8.5840  0.4169 -0.2644000     0.8337000 
1 1 1 23 9  14 f 2.6500  0.7269 -0.3184000     1.454000  
1 1 1 23 9  15 o 10.330  0.3083 0.3316000      0.6166000 
1 1 1 23 9  16 o 10.810  0.4287 ?              ?         
1 1 1 23 9  17 o 10.570  0.3277 -0.3094000     0.6554000 
1 1 1 23 9  18 o 14.060  0.2289 0.4088000      0.4579000 
1 1 1 23 9  19 o 13.710  0.2548 0.3434000      0.5096000 
1 1 1 23 9  20 o 8.0990  0.3836 0.8317000      0.7673000 
1 1 1 23 9  21 o 4.2810  0.6221 0.3915000      1.244000  
1 1 1 23 9  22 f 4.3810  0.6872 0.7345000      1.374000  
1 1 1 23 9  23 o 4.9550  0.6204 -0.2734000     1.241000  
1 1 1 23 9  24 o 8.7420  0.3579 -0.8403000     0.7158000 
1 1 1 23 9  25 o 3.1860  0.7370 -1.806000      1.474000  
1 1 1 23 9  26 o 2.6510  0.7273 -1.150000      1.455000  
1 1 1 23 9  27 o 10.260  0.2733 0.4323000E-01  0.5466000 
1 1 1 23 9  28 o 4.0050  0.5973 -0.2088000     1.195000  
1 1 1 23 9  29 o 4.1330  0.5818 1.397000       1.164000  
1 1 1 23 9  30 o 6.8550  0.3522 -0.5535000     0.7043000 
1 1 1 23 9  31 o 5.2090  0.5285 1.456000       1.057000  
1 1 1 23 9  32 o 6.4840  0.3554 -0.1442000     0.7109000 
1 1 1 23 9  33 o 3.6260  0.6133 0.4492000E-01  1.227000  
1 1 1 23 9  34 o 5.4350  0.4186 -0.6665000     0.8371000 
1 1 1 23 9  35 o 2.0910  0.6453 0.5048000      1.291000  
1 1 1 23 9  36 o 6.7540  0.3418 0.1786000      0.6835000 
1 1 1 23 9  37 o 4.6560  0.4443 -0.3591000     0.8886000 
1 1 1 23 9  38 o 5.4730  0.3876 0.5352000      0.7752000 
1 1 1 23 9  39 o 5.6320  0.4980 -0.6230000E-01 0.9960000 
1 1 1 23 9  40 o 2.8270  0.6590 -0.9979000     1.318000  
1 1 1 23 9  41 o 6.6480  0.3282 1.355000       0.6563000 
1 1 1 23 9  42 o 2.0970  0.6043 -0.3430000     1.209000  
1 1 1 23 9  43 o 3.4310  0.5852 -1.254000      1.170000  
1 1 1 23 9  44 o 7.1470  0.3128 0.8573000E-01  0.6255000 
1 1 1 23 9  45 o 3.2570  0.5469 1.775000       1.094000  
1 1 1 23 9  46 o 3.9480  0.5300 -1.026000      1.060000  
1 1 1 23 9  47 o 2.5380  0.6004 -0.9815000     1.201000  
1 1 1 23 9  48 f 3.2030  0.5649 0.3468000      1.130000  
1 1 1 23 9  49 o 4.0960  0.4825 0.1584000      0.9649000 
1 1 1 23 9  50 o 2.2340  0.5942 -0.7639000     1.188000  
1 1 1 23 9  51 o 3.6470  0.5462 0.3474000      1.092000  
1 1 1 23 9  52 o 5.4660  0.4650 1.223000       0.9300000 
1 1 1 23 9  53 o 3.3330  0.6021 0.7460000      1.204000  
1 1 1 23 9  54 o 2.8590  0.6215 -0.1482000     1.243000  
1 1 1 23 9  55 o 2.8150  0.5740 1.236000       1.148000  
1 1 1 23 9  56 o 2.0520  0.5777 0.5244000      1.155000  
1 1 1 23 10 0  o 3.0750  1.2980 0.000000       0.000000  
1 1 1 23 10 1  o 14.120  0.2372 -0.1502000     0.4745000 
1 1 1 23 10 2  o 3.9350  0.7209 0.2515000      1.442000  
1 1 1 23 10 3  o 12.580  0.2577 -0.8088000     0.5154000 
1 1 1 23 10 4  o 4.7880  0.6179 0.8543000      1.236000  
1 1 1 23 10 5  o 13.430  0.2803 0.5514000      0.5607000 
1 1 1 23 10 6  o 5.4510  0.6327 0.1011000      1.265000  
1 1 1 23 10 7  o 2.8180  0.8458 0.4135000      1.692000  
1 1 1 23 10 8  o 12.130  0.3862 0.5476000      0.7725000 
1 1 1 23 10 9  o 4.0960  0.8789 -0.6856000     1.758000  
1 1 1 23 10 10 o 11.790  0.3048 0.1027000      0.6096000 
1 1 1 23 10 11 o 9.7620  0.5023 -0.1778000     1.005000  
1 1 1 23 10 12 o 11.650  0.4225 0.3466000      0.8449000 
1 1 1 23 10 13 o 17.310  0.3176 0.1522000      0.6352000 
1 1 1 23 10 14 o 16.530  0.2313 0.8387000E-01  0.4626000 
1 1 1 23 10 15 o 4.0270  0.6943 1.450000       1.389000  
1 1 1 23 10 16 o 7.3800  0.3977 -0.3514000     0.7954000 
1 1 1 23 10 17 o 9.5590  0.2958 -0.1207000E-01 0.5916000 
1 1 1 23 10 18 o 9.8420  0.3136 -0.9865000     0.6272000 
1 1 1 23 10 19 o 8.3460  0.3325 0.6866000      0.6651000 
1 1 1 23 10 20 o 12.970  0.2607 -0.5742000E-01 0.5214000 
1 1 1 23 10 21 o 9.3400  0.2783 1.238000       0.5567000 
1 1 1 23 10 22 o 5.2500  0.4660 0.7859000      0.9320000 
1 1 1 23 10 23 o 9.4300  0.2674 -0.1896000     0.5347000 
1 1 1 23 10 24 o 7.5730  0.3597 0.7773000      0.7194000 
1 1 1 23 10 25 o 6.0350  0.4342 -0.9243000     0.8685000 
1 1 1 23 10 26 o 15.430  0.2131 1.370000       0.4261000 
1 1 1 23 10 27 o 6.7510  0.3636 1.380000       0.7273000 
1 1 1 23 10 28 o 1.8410  0.5847 0.9539000E-01  1.169000  
1 1 1 23 10 29 o 6.6110  0.3583 0.3589000      0.7166000 
1 1 1 23 10 30 o 4.0740  0.5747 0.1963000      1.149000  
1 1 1 23 10 31 o 5.0870  0.4560 0.2363000      0.9120000 
1 1 1 23 10 32 o 2.3410  0.6437 -0.2517000     1.287000  
1 1 1 23 10 33 o 4.6990  0.5028 -0.9936000     1.006000  
1 1 1 23 10 34 o 3.3760  0.6869 -0.9565000     1.374000  
1 1 1 23 10 35 o 8.7690  0.2732 -0.4374000     0.5465000 
1 1 1 23 10 36 o 8.1610  0.2938 0.5343000      0.5875000 
1 1 1 23 10 37 o 12.600  0.2161 0.3071000      0.4322000 
1 1 1 23 10 38 o 2.4380  0.6600 -0.8121000E-01 1.320000  
1 1 1 23 10 39 o 4.9360  0.4999 0.6291000      0.9999000 
1 1 1 23 10 40 o 7.8670  0.2737 0.2860000      0.5474000 
1 1 1 23 10 41 o 3.9640  0.5383 0.2327000      1.077000  
1 1 1 23 10 42 o 2.3500  0.5586 0.9056000      1.117000  
1 1 1 23 10 43 o 2.1250  0.5964 -0.1803000     1.193000  
1 1 1 23 10 44 o 3.0070  0.5882 -1.956000      1.176000  
1 1 1 23 10 45 o 7.1770  0.3094 0.2138000      0.6187000 
1 1 1 23 10 46 o 6.6170  0.2841 -0.2389000     0.5681000 
1 1 1 23 10 47 o 2.5880  0.5848 -0.4505000     1.170000  
1 1 1 23 10 48 o 2.8170  0.5522 0.4855000      1.104000  
1 1 1 23 10 49 o 6.4110  0.3003 0.1809000      0.6005000 
1 1 1 23 10 50 o 3.9730  0.4645 0.9796000E-01  0.9289000 
1 1 1 23 10 51 o 4.4940  0.4525 1.081000       0.9049000 
1 1 1 23 10 52 o 2.7670  0.5260 0.9263000      1.052000  
1 1 1 23 10 53 o 2.5950  0.5240 1.117000       1.048000  
1 1 1 23 10 54 o 3.6570  0.5734 -1.340000      1.147000  
1 1 1 23 10 55 o 3.3160  0.5949 -3.126000      1.190000  
1 1 1 23 10 56 o 2.9450  0.7544 -0.6751000     1.509000  
1 1 1 23 11 0  o 3.3580  1.3750 0.000000       0.000000  
1 1 1 23 11 1  o 7.7730  0.4294 -0.7051000     0.8589000 
1 1 1 23 11 2  o 8.2410  0.4053 0.3324000      0.8107000 
1 1 1 23 11 3  o 4.2100  0.7484 1.091000       1.497000  
1 1 1 23 11 4  o 10.300  0.3366 0.6294000E-04  0.6733000 
1 1 1 23 11 5  o 13.870  0.2701 -0.5074000     0.5402000 
1 1 1 23 11 6  o 6.0830  0.5438 -0.3274000     1.088000  
1 1 1 23 11 7  o 6.9190  0.6010 0.7271000      1.202000  
1 1 1 23 11 8  o 12.480  0.3168 0.6661000E-02  0.6336000 
1 1 1 23 11 9  o 8.6620  0.4004 -0.2586000     0.8008000 
1 1 1 23 11 10 o 7.8750  0.3665 0.5321000      0.7330000 
1 1 1 23 11 11 o 13.810  0.2796 0.6712000      0.5591000 
1 1 1 23 11 12 o 2.7130  0.7533 0.2011000      1.507000  
1 1 1 23 11 13 o 14.520  0.2673 0.6720000      0.5345000 
1 1 1 23 11 14 o 4.9660  0.6121 0.2431000      1.224000  
1 1 1 23 11 15 o 1.9040  0.6212 -0.2699000     1.242000  
1 1 1 23 11 16 o 11.360  0.3019 -0.2786000E-01 0.6039000 
1 1 1 23 11 17 o 4.1290  0.6492 2.378000       1.298000  
1 1 1 23 11 18 o 9.2610  0.3289 1.169000       0.6578000 
1 1 1 23 11 19 o 16.380  0.2042 -0.1763000     0.4085000 
1 1 1 23 11 20 o 4.9370  0.5355 -1.366000      1.071000  
1 1 1 23 11 21 o 2.3720  0.6755 -0.3476000     1.351000  
1 1 1 23 11 22 o 6.9540  0.3493 1.048000       0.6985000 
1 1 1 23 11 23 o 2.6970  0.6730 0.2458000E-02  1.346000  
1 1 1 23 11 24 o 6.7470  0.3442 0.5572000E-02  0.6885000 
1 1 1 23 11 25 o 9.7040  0.2824 -0.1591000     0.5649000 
1 1 1 23 11 26 o 5.8680  0.4092 0.7459000      0.8183000 
1 1 1 23 11 27 o 1.8500  0.5861 -0.1387000     1.172000  
1 1 1 23 11 28 o 6.7460  0.3458 -0.9233000E-01 0.6916000 
1 1 1 23 11 29 o 10.950  0.2327 -0.8123000     0.4653000 
1 1 1 23 11 30 o 5.6010  0.4113 0.7428000      0.8227000 
1 1 1 23 11 31 o 8.7430  0.2742 -0.6217000     0.5484000 
1 1 1 23 11 32 o 3.1310  0.7188 -0.1493000     1.438000  
1 1 1 23 11 33 o 5.2370  0.4315 0.2093000      0.8629000 
1 1 1 23 11 34 o 6.7220  0.3399 0.4938000      0.6797000 
1 1 1 23 11 35 o 8.5500  0.2783 1.077000       0.5565000 
1 1 1 23 11 36 o 5.4950  0.4482 -1.090000      0.8963000 
1 1 1 23 11 37 o 9.7660  0.2767 0.3286000      0.5535000 
1 1 1 23 11 38 o 12.370  0.2261 -0.2052000     0.4522000 
1 1 1 23 11 39 o 2.5970  0.5531 1.318000       1.106000  
1 1 1 23 11 40 o 3.6980  0.5551 1.102000       1.110000  
1 1 1 23 11 41 o 8.7670  0.2571 0.5997000E-01  0.5141000 
1 1 1 23 11 42 o 4.2970  0.4491 -0.8352000E-01 0.8983000 
1 1 1 23 11 43 o 2.4070  0.5630 0.3905000      1.126000  
1 1 1 23 11 44 o 5.0920  0.4222 0.3487000      0.8444000 
1 1 1 23 11 45 o 9.1500  0.2856 -0.4515000     0.5713000 
1 1 1 23 11 46 o 1.5760  0.5192 0.3533000      1.038000  
1 1 1 23 11 47 o 2.6650  0.6451 -1.403000      1.290000  
1 1 1 23 11 48 o 3.7100  0.6376 0.6132000      1.275000  
1 1 1 23 11 49 o 3.1720  0.6130 -2.218000      1.226000  
1 1 1 23 11 50 o 1.8830  0.5855 0.3754000      1.171000  
1 1 1 23 11 51 o 2.5130  0.6617 -1.007000      1.323000  
1 1 1 23 11 52 o 1.8340  0.5768 0.1402000      1.154000  
1 1 1 23 11 53 o 4.8380  0.4891 0.8117000      0.9783000 
1 1 1 23 11 54 o 2.6900  0.5629 1.984000       1.126000  
1 1 1 23 11 55 o 2.5440  0.6844 -0.3507000     1.369000  
1 1 1 23 12 0  o 10.300  0.3918 0.000000       0.000000  
1 1 1 23 12 1  o 6.6460  0.3926 -0.3996000     0.7851000 
1 1 1 23 12 2  o 6.2870  0.4147 0.2327000      0.8295000 
1 1 1 23 12 3  o 6.6040  0.4044 1.122000       0.8087000 
1 1 1 23 12 4  o 15.410  0.2025 -0.6238000E-01 0.4049000 
1 1 1 23 12 5  o 5.5510  0.4642 -0.8289000     0.9284000 
1 1 1 23 12 6  o 11.910  0.2522 -0.6137000E-01 0.5044000 
1 1 1 23 12 7  o 3.5350  0.7814 0.9490000      1.563000  
1 1 1 23 12 8  o 16.370  0.2422 1.091000       0.4843000 
1 1 1 23 12 9  o 9.0340  0.3182 -0.2889000E-01 0.6365000 
1 1 1 23 12 10 o 7.4820  0.3492 0.2761000      0.6984000 
1 1 1 23 12 11 o 8.3800  0.3906 0.6548000      0.7813000 
1 1 1 23 12 12 o 12.410  0.2957 1.623000       0.5915000 
1 1 1 23 12 13 o 3.3760  0.7173 -0.9091000     1.435000  
1 1 1 23 12 14 o 6.8510  0.4310 -0.1208000     0.8620000 
1 1 1 23 12 15 o 12.060  0.2905 0.1118000      0.5809000 
1 1 1 23 12 16 o 3.9020  0.6844 1.525000       1.369000  
1 1 1 23 12 17 o 7.0050  0.4242 -0.1480000     0.8484000 
1 1 1 23 12 18 o 10.110  0.3000 -1.182000      0.6000000 
1 1 1 23 12 19 o 10.430  0.2906 -0.3846000     0.5812000 
1 1 1 23 12 20 o 6.1470  0.4251 1.433000       0.8501000 
1 1 1 23 12 21 o 2.5680  0.6830 -0.8363000E-01 1.366000  
1 1 1 23 12 22 o 6.2110  0.4235 1.187000       0.8470000 
1 1 1 23 12 23 o 8.9450  0.2968 0.4260000      0.5935000 
1 1 1 23 12 24 o 4.7220  0.4903 0.5301000      0.9805000 
1 1 1 23 12 25 o 4.4570  0.5217 1.143000       1.043000  
1 1 1 23 12 26 o 5.3630  0.4357 1.310000       0.8713000 
1 1 1 23 12 27 o 8.3400  0.2687 0.3278000      0.5374000 
1 1 1 23 12 28 o 5.5520  0.3772 -0.1469000     0.7544000 
1 1 1 23 12 29 o 3.1290  0.6249 1.017000       1.250000  
1 1 1 23 12 30 f 2.3870  0.6851 -0.1122000     1.370000  
1 1 1 23 12 31 o 3.1230  0.5809 0.8276000      1.162000  
1 1 1 23 12 32 o 5.2300  0.3919 0.2551000      0.7838000 
1 1 1 23 12 33 o 1.9130  0.5668 -1.039000      1.134000  
1 1 1 23 12 34 o 2.0620  0.5795 -0.3637000E-01 1.159000  
1 1 1 23 12 35 o 4.6670  0.4895 0.1789000      0.9790000 
1 1 1 23 12 36 o 2.2420  0.5659 0.6872000      1.132000  
1 1 1 23 12 37 o 9.3890  0.2637 0.3468000      0.5275000 
1 1 1 23 12 38 o 4.3020  0.5559 1.014000       1.112000  
1 1 1 23 12 39 o 2.8210  0.6036 0.1033000      1.207000  
1 1 1 23 12 40 o 2.6750  0.6538 -0.5358000     1.308000  
1 1 1 23 12 41 o 5.7450  0.3734 0.9273000E-01  0.7468000 
1 1 1 23 12 42 o 3.3250  0.7229 1.793000       1.446000  
1 1 1 23 12 43 o 5.0060  0.6508 -0.7229000     1.302000  
1 1 1 23 12 44 o 4.1400  0.7097 1.762000       1.419000  
1 1 1 23 12 45 o 2.6710  0.9912 ?              ?         
1 1 1 23 12 46 o 4.9990  0.6439 0.5976000      1.288000  
1 1 1 23 12 47 f 2.3930  0.7170 1.439000       1.434000  
1 1 1 23 12 48 o 2.3490  0.7226 1.342000       1.445000  
1 1 1 23 12 49 o 3.0040  0.6569 -1.605000      1.314000  
1 1 1 23 12 50 o 2.4440  0.6727 -0.7410000     1.345000  
1 1 1 23 12 51 o 3.9310  0.6910 -0.6852000     1.382000  
1 1 1 23 12 52 o 2.1340  0.6624 0.9612000      1.325000  
1 1 1 23 12 53 o 1.7170  0.5819 0.6217000      1.164000  
1 1 1 23 12 54 o 3.0780  0.7188 1.796000       1.438000  
1 1 1 23 13 0  o 26.430  0.3220 0.000000       0.000000  
1 1 1 23 13 1  o 16.740  0.1911 -0.1981000     0.3822000 
1 1 1 23 13 2  o 15.800  0.2277 0.7255000      0.4555000 
1 1 1 23 13 3  o 7.5900  0.3345 -0.7011000     0.6689000 
1 1 1 23 13 4  o 16.500  0.1907 0.1928000      0.3814000 
1 1 1 23 13 5  o 4.2120  0.5976 0.2075000      1.195000  
1 1 1 23 13 6  o 7.5900  0.3315 -0.3897000     0.6631000 
1 1 1 23 13 7  o 8.1870  0.3965 -0.1853000     0.7930000 
1 1 1 23 13 8  o 9.2380  0.3548 0.7100000      0.7096000 
1 1 1 23 13 9  o 8.4890  0.3345 -0.2591000     0.6691000 
1 1 1 23 13 10 o 13.290  0.2152 0.8954000E-01  0.4305000 
1 1 1 23 13 11 o 8.9090  0.3624 1.451000       0.7248000 
1 1 1 23 13 12 o 8.6890  0.3763 1.499000       0.7527000 
1 1 1 23 13 13 o 8.3460  0.3783 -0.8219000     0.7567000 
1 1 1 23 13 14 o 7.0760  0.4303 1.882000       0.8606000 
1 1 1 23 13 15 o 6.0350  0.4535 0.3170000      0.9070000 
1 1 1 23 13 16 o 8.9180  0.3224 0.3953000      0.6448000 
1 1 1 23 13 17 o 11.160  0.2692 1.180000       0.5384000 
1 1 1 23 13 18 o 10.630  0.2424 0.6606000E-01  0.4847000 
1 1 1 23 13 19 o 6.0760  0.4180 1.705000       0.8360000 
1 1 1 23 13 20 o 8.2680  0.2905 0.3296000      0.5811000 
1 1 1 23 13 21 o 12.790  0.2143 -0.3416000     0.4287000 
1 1 1 23 13 22 o 2.0550  0.5931 -1.477000      1.186000  
1 1 1 23 13 23 o 11.170  0.2257 0.3354000      0.4514000 
1 1 1 23 13 24 o 4.0610  0.5479 -1.153000      1.096000  
1 1 1 23 13 25 o 1.8770  0.5637 -0.3212000     1.127000  
1 1 1 23 13 26 o 4.1010  0.4669 0.3424000      0.9338000 
1 1 1 23 13 27 o 5.4530  0.3429 0.3084000      0.6857000 
1 1 1 23 13 28 o 2.5230  0.6353 -1.025000      1.271000  
1 1 1 23 13 29 o 6.2100  0.4546 -0.3314000     0.9092000 
1 1 1 23 13 30 o 4.0590  0.5872 1.097000       1.174000  
1 1 1 23 13 31 o 8.9030  0.2595 -0.4651000     0.5191000 
1 1 1 23 13 32 o 9.7210  0.2497 0.5670000      0.4995000 
1 1 1 23 13 33 o 6.0660  0.4659 1.191000       0.9317000 
1 1 1 23 13 34 o 1.7770  0.5374 0.2390000      1.075000  
1 1 1 23 13 35 o 1.8770  0.5432 0.4708000      1.086000  
1 1 1 23 13 36 o 3.3220  0.6148 0.8148000      1.230000  
1 1 1 23 13 37 o 4.2530  0.5854 -0.1442000     1.171000  
1 1 1 23 13 38 o 3.5310  0.6440 -0.3041000     1.288000  
1 1 1 23 13 39 o 3.7680  0.5516 1.493000       1.103000  
1 1 1 23 13 40 o 1.7590  0.8374 ?              ?         
1 1 1 23 13 41 o 3.1840  0.5579 2.137000       1.116000  
1 1 1 23 13 42 o 1.4130  0.4852 -0.8543000E-01 0.9705000 
1 1 1 23 13 43 o 6.9150  0.3563 -0.2567000     0.7126000 
1 1 1 23 13 44 o 2.7970  0.6062 1.122000       1.212000  
1 1 1 23 13 45 o 4.3970  0.5065 0.1135000      1.013000  
1 1 1 23 13 46 o 2.2370  0.6041 0.8563000      1.208000  
1 1 1 23 13 47 o 1.8670  0.5622 0.8154000      1.124000  
1 1 1 23 13 48 o 4.3200  0.5203 0.4196000      1.041000  
1 1 1 23 13 49 o 6.4840  0.3412 -0.7488000     0.6825000 
1 1 1 23 13 50 o 1.3560  0.4658 0.4657000E-01  0.9315000 
1 1 1 23 13 51 o 3.0680  0.6333 -0.3262000     1.267000  
1 1 1 23 13 52 o 2.2830  0.6154 -1.166000      1.231000  
1 1 1 23 13 53 o 3.4430  0.6206 -0.3525000     1.241000  
1 1 1 23 14 0  o 1.1960  0.8305 0.000000       0.000000  
1 1 1 23 14 1  o 4.9020  0.5394 -1.393000      1.079000  
1 1 1 23 14 2  o 12.260  0.2332 0.7514000      0.4665000 
1 1 1 23 14 3  o 9.5170  0.2698 -0.5012000     0.5396000 
1 1 1 23 14 4  o 3.0420  0.6499 -1.516000      1.300000  
1 1 1 23 14 5  o 6.8930  0.3575 0.4449000      0.7150000 
1 1 1 23 14 6  o 6.6520  0.3680 -0.8051000     0.7360000 
1 1 1 23 14 7  o 11.230  0.2378 -0.2814000     0.4755000 
1 1 1 23 14 8  o 4.5680  0.6753 -0.7092000     1.351000  
1 1 1 23 14 9  o 7.9200  0.4748 ?              ?         
1 1 1 23 14 10 o 14.240  0.2022 -0.3492000     0.4044000 
1 1 1 23 14 11 o 13.850  0.2506 0.6125000      0.5012000 
1 1 1 23 14 12 o 7.6140  0.4124 0.2607000      0.8247000 
1 1 1 23 14 13 o 9.5220  0.3529 0.7284000      0.7059000 
1 1 1 23 14 14 o 8.2230  0.3293 -0.1851000     0.6586000 
1 1 1 23 14 15 o 12.930  0.2804 -0.2487000     0.5608000 
1 1 1 23 14 16 o 6.8180  0.3772 -1.298000      0.7545000 
1 1 1 23 14 17 o 9.9660  0.2542 0.4829000      0.5084000 
1 1 1 23 14 18 o 5.9900  0.3848 -0.3037000     0.7696000 
1 1 1 23 14 19 o 12.340  0.2095 -0.5394000     0.4190000 
1 1 1 23 14 20 o 1.9070  0.5701 0.5469000      1.140000  
1 1 1 23 14 21 o 4.2720  0.5463 1.318000       1.093000  
1 1 1 23 14 22 o 6.2190  0.3674 1.092000       0.7349000 
1 1 1 23 14 23 o 6.4640  0.4305 1.756000       0.8610000 
1 1 1 23 14 24 o 10.040  0.2578 0.1647000      0.5156000 
1 1 1 23 14 25 o 2.6960  0.6369 0.5161000      1.274000  
1 1 1 23 14 26 o 4.0870  0.5101 1.604000       1.020000  
1 1 1 23 14 27 o 6.2240  0.4356 0.4860000      0.8713000 
1 1 1 23 14 28 o 4.2280  0.4778 0.7535000      0.9555000 
1 1 1 23 14 29 o 1.8270  0.5740 -0.1844000     1.148000  
1 1 1 23 14 30 o 1.9990  0.5907 0.4591000      1.181000  
1 1 1 23 14 31 o 12.850  0.1954 1.160000       0.3908000 
1 1 1 23 14 32 f 5.5460  0.4044 -0.3420000     0.8089000 
1 1 1 23 14 33 o 4.9650  0.3877 -0.9114000     0.7753000 
1 1 1 23 14 34 o 2.4070  0.5482 0.7913000      1.096000  
1 1 1 23 14 35 o 6.4750  0.3581 -0.7673000     0.7162000 
1 1 1 23 14 36 o 3.3680  0.5621 1.656000       1.124000  
1 1 1 23 14 37 o 4.6410  0.6324 -0.1269000     1.265000  
1 1 1 23 14 38 o 6.1680  0.4023 1.141000       0.8046000 
1 1 1 23 14 39 o 7.8050  0.2835 -0.4313000E-01 0.5670000 
1 1 1 23 14 40 o 5.3890  0.4171 -1.263000      0.8341000 
1 1 1 23 14 41 o 1.6100  0.5371 -0.7552000     1.074000  
1 1 1 23 14 42 o 5.6790  0.3962 -1.082000      0.7925000 
1 1 1 23 14 43 o 1.4120  0.4788 -0.1154000     0.9577000 
1 1 1 23 14 44 o 8.2930  0.2733 0.5681000      0.5466000 
1 1 1 23 14 45 o 2.4890  0.6266 0.2861000      1.253000  
1 1 1 23 14 46 f 2.1560  0.6139 -0.5811000     1.228000  
1 1 1 23 14 47 o 9.7520  0.2556 1.078000       0.5112000 
1 1 1 23 14 48 o 4.9790  0.4402 0.4507000      0.8805000 
1 1 1 23 14 49 f 2.1400  0.6046 0.1329000E-01  1.209000  
1 1 1 23 14 50 o 1.9990  0.5699 0.6757000      1.140000  
1 1 1 23 14 51 o 1.7290  0.5493 0.1523000      1.099000  
1 1 1 23 14 52 o 1.9580  0.5808 0.1167000      1.162000  
1 1 1 23 14 53 o 3.7440  0.7645 0.3396000      1.529000  
1 1 1 23 15 0  o 4.7960  0.7791 0.000000       0.000000  
1 1 1 23 15 1  o 2.6370  0.6061 2.042000       1.212000  
1 1 1 23 15 2  o 12.930  0.2202 -0.1203000     0.4403000 
1 1 1 23 15 3  o 2.6970  0.6915 0.1644000      1.383000  
1 1 1 23 15 4  o 2.5000  0.6259 1.226000       1.252000  
1 1 1 23 15 5  o 12.130  0.2209 0.7059000E-01  0.4418000 
1 1 1 23 15 6  o 5.2740  0.4530 -1.218000      0.9060000 
1 1 1 23 15 7  o 3.2990  0.6553 0.4479000      1.311000  
1 1 1 23 15 8  o 9.7470  0.3245 0.7677000      0.6489000 
1 1 1 23 15 9  o 8.9440  0.3529 0.3396000      0.7057000 
1 1 1 23 15 10 o 5.3610  0.5222 -1.574000      1.044000  
1 1 1 23 15 11 o 7.8170  0.3383 0.4677000      0.6767000 
1 1 1 23 15 12 o 9.4030  0.3489 0.3999000      0.6978000 
1 1 1 23 15 13 o 7.0440  0.5440 -0.5813000     1.088000  
1 1 1 23 15 14 o 9.3280  0.3565 0.4439000      0.7131000 
1 1 1 23 15 15 f 4.0340  0.6234 0.4797000      1.247000  
1 1 1 23 15 16 o 10.260  0.2572 0.5849000      0.5144000 
1 1 1 23 15 17 o 2.5870  0.6513 0.1767000      1.303000  
1 1 1 23 15 18 o 16.490  0.1803 -0.5105000     0.3606000 
1 1 1 23 15 19 o 3.5840  0.5758 -2.212000      1.152000  
1 1 1 23 15 20 o 10.530  0.2300 -0.2104000     0.4600000 
1 1 1 23 15 21 o 1.6380  0.5363 -0.2113000     1.073000  
1 1 1 23 15 22 o 2.2280  0.6151 -0.7103000E-01 1.230000  
1 1 1 23 15 23 o 4.3020  0.4853 0.8524000      0.9706000 
1 1 1 23 15 24 o 8.0550  0.2629 -1.217000      0.5258000 
1 1 1 23 15 25 o 4.7940  0.5691 1.977000       1.138000  
1 1 1 23 15 26 o 5.4330  0.4816 -1.141000      0.9631000 
1 1 1 23 15 27 o 8.6420  0.3023 0.7171000      0.6047000 
1 1 1 23 15 28 o 3.8590  0.5098 -0.3326000     1.020000  
1 1 1 23 15 29 o 7.3930  0.2813 0.4852000      0.5626000 
1 1 1 23 15 30 o 4.7520  0.5637 1.556000       1.127000  
1 1 1 23 15 31 o 2.2920  0.5888 0.1618000      1.178000  
1 1 1 23 15 32 f 1.7320  0.5407 -0.3231000     1.081000  
1 1 1 23 15 33 o 7.6650  0.2961 1.058000       0.5923000 
1 1 1 23 15 34 o 6.1710  0.3835 -0.3859000     0.7671000 
1 1 1 23 15 35 o 1.4150  0.4797 -0.5131000E-01 0.9593000 
1 1 1 23 15 36 o 3.6240  0.5435 -0.1397000     1.087000  
1 1 1 23 15 37 o 3.2080  0.6457 -0.5425000     1.291000  
1 1 1 23 15 38 o 4.9160  0.4318 -0.1068000     0.8635000 
1 1 1 23 15 39 o 2.1350  0.6519 0.9400000      1.304000  
1 1 1 23 15 40 o 3.4240  0.6185 -0.8964000     1.237000  
1 1 1 23 15 41 o 4.5070  0.5366 0.6526000      1.073000  
1 1 1 23 15 42 o 4.5540  0.4743 0.7686000      0.9486000 
1 1 1 23 15 43 o 1.8460  0.5657 -0.6599000E-01 1.131000  
1 1 1 23 15 44 o 3.3040  0.5380 2.023000       1.076000  
1 1 1 23 15 45 f 2.4130  0.5858 0.8090000      1.172000  
1 1 1 23 15 46 o 5.4890  0.3867 0.1445000      0.7734000 
1 1 1 23 15 47 o 1.8450  0.5672 -0.4715000     1.134000  
1 1 1 23 15 48 o 5.0460  0.4238 0.4938000      0.8476000 
1 1 1 23 15 49 o 8.9010  0.2628 1.342000       0.5256000 
1 1 1 23 15 50 o 3.7690  0.5433 1.311000       1.087000  
1 1 1 23 15 51 o 2.2140  0.5636 -1.936000      1.127000  
1 1 1 23 16 0  o 2.6890  1.1770 0.000000       0.000000  
1 1 1 23 16 1  o 2.7190  0.6683 -0.7743000     1.337000  
1 1 1 23 16 2  o 3.0390  0.6515 1.325000       1.303000  
1 1 1 23 16 3  o 10.100  0.2571 -0.3528000     0.5141000 
1 1 1 23 16 4  o 7.1590  0.3428 0.2004000      0.6857000 
1 1 1 23 16 5  o 4.9120  0.5080 -1.407000      1.016000  
1 1 1 23 16 6  o 9.2920  0.2611 -0.3730000     0.5222000 
1 1 1 23 16 7  o 5.8500  0.3941 -0.7294000     0.7882000 
1 1 1 23 16 8  o 5.1820  0.4494 0.1476000      0.8989000 
1 1 1 23 16 9  o 3.3650  0.7526 0.5094000      1.505000  
1 1 1 23 16 10 o 3.9860  0.8458 -0.5265000     1.692000  
1 1 1 23 16 11 o 14.110  0.2174 0.1752000E-01  0.4347000 
1 1 1 23 16 12 o 12.350  0.3516 0.2896000      0.7033000 
1 1 1 23 16 13 o 6.8590  0.4250 ?              ?         
1 1 1 23 16 14 o 2.5470  0.6840 -0.2976000     1.368000  
1 1 1 23 16 15 o 4.4310  0.5406 1.459000       1.081000  
1 1 1 23 16 16 o 3.3160  0.6180 -1.435000      1.236000  
1 1 1 23 16 17 o 6.4810  0.3505 0.7201000      0.7011000 
1 1 1 23 16 18 o 4.6800  0.4721 0.1982000      0.9442000 
1 1 1 23 16 19 o 2.7090  0.5558 1.677000       1.112000  
1 1 1 23 16 20 o 7.8200  0.2921 0.7906000      0.5843000 
1 1 1 23 16 21 o 7.4310  0.3019 0.4427000      0.6037000 
1 1 1 23 16 22 o 5.4270  0.3854 0.5359000      0.7709000 
1 1 1 23 16 23 o 7.8260  0.2636 -0.8542000E-01 0.5272000 
1 1 1 23 16 24 o 6.9290  0.4025 0.2993000E-01  0.8050000 
1 1 1 23 16 25 o 7.9040  0.2611 -0.1764000     0.5223000 
1 1 1 23 16 26 o 4.1800  0.5726 0.5613000      1.145000  
1 1 1 23 16 27 o 9.2010  0.2493 0.1229000      0.4987000 
1 1 1 23 16 28 o 6.0480  0.3491 -0.7826000     0.6982000 
1 1 1 23 16 29 f 4.6660  0.4593 -1.214000      0.9185000 
1 1 1 23 16 30 f 5.4500  0.3977 -0.6101000     0.7953000 
1 1 1 23 16 31 o 8.7660  0.2740 0.3655000E-01  0.5481000 
1 1 1 23 16 32 o 5.8890  0.3429 0.1610000      0.6859000 
1 1 1 23 16 33 o 3.5670  0.6239 0.5581000      1.248000  
1 1 1 23 16 34 o 2.4450  0.6502 -0.2939000     1.300000  
1 1 1 23 16 35 o 3.4000  0.5746 -0.3563000     1.149000  
1 1 1 23 16 36 o 5.1580  0.4568 0.7607000      0.9137000 
1 1 1 23 16 37 o 3.9150  0.6015 0.4553000      1.203000  
1 1 1 23 16 38 o 2.2010  0.6277 -0.8373000     1.255000  
1 1 1 23 16 39 o 3.4920  0.6063 -0.1415000E-01 1.213000  
1 1 1 23 16 40 o 2.5780  0.6489 -0.3829000     1.298000  
1 1 1 23 16 41 o 3.3930  0.5435 1.920000       1.087000  
1 1 1 23 16 42 o 2.2310  0.5609 -1.964000      1.122000  
1 1 1 23 16 43 o 4.8540  0.4335 0.4354000      0.8670000 
1 1 1 23 16 44 o 2.2600  0.5779 0.6795000      1.156000  
1 1 1 23 16 45 o 7.0030  0.3006 0.3286000      0.6013000 
1 1 1 23 16 46 o 3.2340  0.5640 0.6566000      1.128000  
1 1 1 23 16 47 f 3.7910  0.5160 0.3019000      1.032000  
1 1 1 23 16 48 o 2.5450  0.5292 1.040000       1.058000  
1 1 1 23 16 49 o 3.8360  0.5043 0.3477000      1.009000  
1 1 1 23 16 50 o 6.0900  0.4928 0.5070000      0.9856000 
1 1 1 23 17 0  o 1.2960  0.8684 0.000000       0.000000  
1 1 1 23 17 1  o 2.9650  0.6708 0.4111000      1.342000  
1 1 1 23 17 2  o 10.850  0.2379 1.083000       0.4758000 
1 1 1 23 17 3  o 5.7660  0.4091 -0.2668000     0.8182000 
1 1 1 23 17 4  o 3.1030  0.6592 -0.8157000     1.318000  
1 1 1 23 17 5  o 7.4220  0.3267 -0.9063000     0.6535000 
1 1 1 23 17 6  o 15.460  0.1943 -0.1395000     0.3886000 
1 1 1 23 17 7  o 3.6080  0.6158 -0.1206000     1.232000  
1 1 1 23 17 8  o 10.710  0.2320 0.4223000      0.4640000 
1 1 1 23 17 9  o 10.690  0.2872 0.9090000E-01  0.5745000 
1 1 1 23 17 10 o 6.0600  0.7890 -2.060000      1.578000  
1 1 1 23 17 11 o 5.8630  0.5848 -0.8329000     1.170000  
1 1 1 23 17 12 o 6.6480  0.4610 -0.6450000     0.9219000 
1 1 1 23 17 13 o 8.9540  0.4154 -0.8801000E-01 0.8308000 
1 1 1 23 17 14 o 3.6590  0.6922 0.1880000      1.384000  
1 1 1 23 17 15 o 7.2170  0.3229 0.6849000      0.6458000 
1 1 1 23 17 16 o 14.900  0.1894 0.4635000      0.3789000 
1 1 1 23 17 17 f 16.000  0.1824 0.6599000      0.3649000 
1 1 1 23 17 18 o 3.0790  0.5538 1.942000       1.108000  
1 1 1 23 17 19 o 4.3750  0.4881 -0.4977000     0.9762000 
1 1 1 23 17 20 o 8.7870  0.2577 0.5654000      0.5155000 
1 1 1 23 17 21 o 3.9790  0.5153 -0.4049000     1.031000  
1 1 1 23 17 22 o 2.4260  0.5418 1.576000       1.084000  
1 1 1 23 17 23 o 10.750  0.2763 1.181000       0.5525000 
1 1 1 23 17 24 o 4.2820  0.5441 0.5844000      1.088000  
1 1 1 23 17 25 o 4.1580  0.4743 -0.1208000E-01 0.9487000 
1 1 1 23 17 26 o 9.6840  0.2170 0.3526000      0.4341000 
1 1 1 23 17 27 o 5.6280  0.3591 0.9853000      0.7181000 
1 1 1 23 17 28 o 2.8650  0.5676 0.6143000      1.135000  
1 1 1 23 17 29 o 8.7170  0.2850 -0.1556000     0.5699000 
1 1 1 23 17 30 o 2.5870  0.5533 1.751000       1.107000  
1 1 1 23 17 31 o 6.0700  0.3104 -0.3804000     0.6208000 
1 1 1 23 17 32 o 2.2020  0.6244 -0.4919000     1.249000  
1 1 1 23 17 33 o 5.3720  0.5916 1.814000       1.183000  
1 1 1 23 17 34 o 4.6420  0.5326 -1.569000      1.065000  
1 1 1 23 17 35 o 3.2070  0.6447 -1.577000      1.289000  
1 1 1 23 17 36 o 2.5690  0.5245 1.080000       1.049000  
1 1 1 23 17 37 o 3.7790  0.6155 1.966000       1.231000  
1 1 1 23 17 38 o 3.3550  0.5907 1.255000       1.181000  
1 1 1 23 17 39 o 4.0690  0.5419 2.213000       1.084000  
1 1 1 23 17 40 o 2.7800  0.6230 -1.005000      1.246000  
1 1 1 23 17 41 o 1.8500  0.5674 -0.9494000     1.135000  
1 1 1 23 17 42 o 2.7930  0.6279 0.1853000      1.256000  
1 1 1 23 17 43 o 5.7680  0.3903 1.306000       0.7807000 
1 1 1 23 17 44 o 2.3330  0.5664 0.6028000      1.133000  
1 1 1 23 17 45 o 3.1320  0.5480 -1.602000      1.096000  
1 1 1 23 17 46 o 2.7400  0.5755 -0.1848000     1.151000  
1 1 1 23 17 47 o 2.2810  0.6786 -0.2086000     1.357000  
1 1 1 23 17 48 o 2.9100  0.7369 -0.3143000     1.474000  
1 1 1 23 17 49 o 2.0490  0.6312 -0.5766000     1.262000  
1 1 1 23 18 0  o 4.1570  0.8905 0.000000       0.000000  
1 1 1 23 18 1  o 2.0640  0.6216 -0.1021000     1.243000  
1 1 1 23 18 2  o 6.4660  0.3687 1.092000       0.7373000 
1 1 1 23 18 3  o 2.1590  0.6318 0.2258000      1.264000  
1 1 1 23 18 4  o 2.9500  0.6462 -1.176000      1.292000  
1 1 1 23 18 5  o 10.220  0.2509 0.1355000      0.5019000 
1 1 1 23 18 6  o 2.0300  0.6105 0.5338000      1.221000  
1 1 1 23 18 7  o 7.5830  0.3166 -0.1514000     0.6333000 
1 1 1 23 18 8  o 6.7220  0.3671 -0.1739000     0.7343000 
1 1 1 23 18 9  o 2.7060  0.7014 -0.7336000     1.403000  
1 1 1 23 18 10 o 2.1350  0.6439 0.5796000      1.288000  
1 1 1 23 18 11 o 1.5380  0.5352 0.6322000E-01  1.070000  
1 1 1 23 18 12 o 3.1530  0.7115 0.3913000      1.423000  
1 1 1 23 18 13 o 1.9960  0.6287 -0.2459000     1.257000  
1 1 1 23 18 14 o 2.3180  0.6532 0.2450000      1.306000  
1 1 1 23 18 15 o 5.3590  0.4172 0.9772000E-01  0.8344000 
1 1 1 23 18 16 o 6.9510  0.3186 0.6758000      0.6372000 
1 1 1 23 18 17 o 3.9840  0.5497 1.506000       1.099000  
1 1 1 23 18 18 o 5.7940  0.3715 0.3738000      0.7430000 
1 1 1 23 18 19 o 2.7540  0.6323 -0.3378000     1.265000  
1 1 1 23 18 20 o 2.4590  0.5815 1.068000       1.163000  
1 1 1 23 18 21 o 7.5180  0.3926 -1.479000      0.7851000 
1 1 1 23 18 22 o 4.6370  0.4424 0.4411000      0.8849000 
1 1 1 23 18 23 o 3.8890  0.5847 1.139000       1.169000  
1 1 1 23 18 24 o 1.9210  0.5613 0.3177000      1.123000  
1 1 1 23 18 25 o 5.3070  0.3967 1.699000       0.7934000 
1 1 1 23 18 26 o 3.5970  0.5267 0.4103000      1.053000  
1 1 1 23 18 27 o 2.6060  0.5586 1.153000       1.117000  
1 1 1 23 18 28 o 3.8390  0.4830 0.5583000E-01  0.9660000 
1 1 1 23 18 29 o 3.2470  0.5847 0.4347000E-01  1.169000  
1 1 1 23 18 30 o 3.3600  0.6653 -0.4178000     1.331000  
1 1 1 23 18 31 o 10.560  0.2742 0.2735000      0.5485000 
1 1 1 23 18 32 f 9.3190  0.2537 0.6716000      0.5074000 
1 1 1 23 18 33 o 5.0120  0.4025 -0.2473000     0.8049000 
1 1 1 23 18 34 o 3.3870  0.6395 -0.8841000     1.279000  
1 1 1 23 18 35 o 4.6390  0.4666 -0.5750000E-02 0.9332000 
1 1 1 23 18 36 o 3.0490  0.5268 1.599000       1.054000  
1 1 1 23 18 37 o 2.3570  0.6133 0.5008000      1.227000  
1 1 1 23 18 38 o 1.8400  0.5598 0.1493000      1.120000  
1 1 1 23 18 39 o 3.8350  0.5491 0.3724000      1.098000  
1 1 1 23 18 40 o 4.6350  0.4531 -0.1227000     0.9061000 
1 1 1 23 18 41 o 3.8780  0.5250 -1.154000      1.050000  
1 1 1 23 18 42 o 3.8900  0.5303 -0.6997000     1.061000  
1 1 1 23 18 43 o 2.6630  0.7205 0.8548000      1.441000  
1 1 1 23 18 44 o 1.9970  0.6369 0.1810000      1.274000  
1 1 1 23 18 45 o 2.1970  0.6763 0.6245000      1.353000  
1 1 1 23 18 46 o 2.2670  0.6883 0.9128000      1.377000  
1 1 1 23 18 47 o 1.8570  0.5991 -0.5716000     1.198000  
1 1 1 23 18 48 o 2.9220  0.7508 0.1426000      1.502000  
1 1 1 23 19 0  o 6.6780  0.5006 0.000000       0.000000  
1 1 1 23 19 1  o 9.1900  0.2686 0.2445000E-01  0.5373000 
1 1 1 23 19 2  o 7.8070  0.3062 0.8030000      0.6124000 
1 1 1 23 19 3  o 3.8340  0.5990 -0.5536000     1.198000  
1 1 1 23 19 4  f 6.9350  0.3390 0.2627000      0.6780000 
1 1 1 23 19 5  o 5.9060  0.3948 0.6720000      0.7895000 
1 1 1 23 19 6  o 2.4460  0.6359 0.9310000      1.272000  
1 1 1 23 19 7  o 6.1840  0.4180 0.6020000      0.8360000 
1 1 1 23 19 8  o 18.740  0.2201 -0.5989000     0.4402000 
1 1 1 23 19 9  o 2.4670  0.6347 -1.945000      1.269000  
1 1 1 23 19 10 o 6.6130  0.3786 0.4914000      0.7572000 
1 1 1 23 19 11 o 2.0980  0.6103 1.113000       1.221000  
1 1 1 23 19 12 o 5.5300  0.5382 -0.7296000     1.076000  
1 1 1 23 19 13 o 5.7420  0.4150 0.1799000      0.8301000 
1 1 1 23 19 14 o 2.6340  0.6927 -0.8381000     1.385000  
1 1 1 23 19 15 o 3.1310  0.6765 0.2270000      1.353000  
1 1 1 23 19 16 o 6.4910  0.3371 0.7398000      0.6742000 
1 1 1 23 19 17 o 9.0370  0.2497 0.1811000      0.4994000 
1 1 1 23 19 18 o 3.5480  0.5773 0.4532000      1.155000  
1 1 1 23 19 19 o 3.4500  0.6101 0.3736000      1.220000  
1 1 1 23 19 20 f 5.9770  0.3826 -0.3280000     0.7652000 
1 1 1 23 19 21 o 3.3920  0.6339 -0.2603000     1.268000  
1 1 1 23 19 22 o 3.8070  0.5160 2.421000       1.032000  
1 1 1 23 19 23 o 5.7880  0.3339 0.7282000E-01  0.6679000 
1 1 1 23 19 24 o 3.8570  0.4992 1.030000       0.9984000 
1 1 1 23 19 25 o 4.7000  0.4272 0.9135000      0.8544000 
1 1 1 23 19 26 o 1.9020  0.5476 0.5770000      1.095000  
1 1 1 23 19 27 o 8.0990  0.2401 -0.2666000     0.4802000 
1 1 1 23 19 28 o 3.9330  0.4671 -0.9870000     0.9342000 
1 1 1 23 19 29 o 4.9650  0.4013 -0.6930000     0.8027000 
1 1 1 23 19 30 o 4.5490  0.4703 1.133000       0.9407000 
1 1 1 23 19 31 o 2.3790  0.6362 0.4681000      1.272000  
1 1 1 23 19 32 o 7.6610  0.3989 2.027000       0.7978000 
1 1 1 23 19 33 o 3.7510  0.5445 -0.8986000     1.089000  
1 1 1 23 19 34 o 5.1600  0.3291 -0.7573000     0.6582000 
1 1 1 23 19 35 o 8.2160  0.2935 0.9565000      0.5870000 
1 1 1 23 19 36 o 4.0610  0.5547 0.9206000      1.109000  
1 1 1 23 19 37 o 6.9840  0.3339 0.8908000      0.6678000 
1 1 1 23 19 38 o 2.9580  0.7912 -0.3985000     1.582000  
1 1 1 23 19 39 o 8.4960  0.4713 0.5174000      0.9427000 
1 1 1 23 19 40 o 3.4890  0.7610 3.068000       1.522000  
1 1 1 23 19 41 o 4.3440  0.7144 -1.069000      1.429000  
1 1 1 23 19 42 o 2.6190  0.6738 2.163000       1.348000  
1 1 1 23 19 43 o 1.6960  0.5791 0.7750000      1.158000  
1 1 1 23 19 44 o 5.8650  0.5183 2.196000       1.037000  
1 1 1 23 19 45 o 2.7170  0.7429 0.2637000      1.486000  
1 1 1 23 19 46 o 7.9610  0.4068 0.1166000      0.8136000 
1 1 1 23 20 0  o 1.8610  1.0660 0.000000       0.000000  
1 1 1 23 20 1  o 8.4560  0.2863 1.078000       0.5725000 
1 1 1 23 20 2  o 4.8980  0.4749 -0.7359000     0.9498000 
1 1 1 23 20 3  o 7.9700  0.3006 -1.571000      0.6011000 
1 1 1 23 20 4  o 7.5840  0.3106 -1.252000      0.6212000 
1 1 1 23 20 5  o 3.2130  0.6386 0.9234000      1.277000  
1 1 1 23 20 6  o 8.0200  0.3270 0.3216000      0.6541000 
1 1 1 23 20 7  o 4.3350  0.6086 3.230000       1.217000  
1 1 1 23 20 8  o 2.1690  0.6343 -1.230000      1.269000  
1 1 1 23 20 9  o 4.7160  0.5301 0.1243000      1.060000  
1 1 1 23 20 10 o 2.0710  0.6181 -0.9568000     1.236000  
1 1 1 23 20 11 o 4.2700  0.5137 -0.1931000     1.027000  
1 1 1 23 20 12 o 3.3100  0.6347 1.102000       1.269000  
1 1 1 23 20 13 o 4.3770  0.6343 -1.527000      1.269000  
1 1 1 23 20 14 o 1.7990  0.5718 -0.4811000     1.144000  
1 1 1 23 20 15 o 2.4070  0.6676 0.9022000E-02  1.335000  
1 1 1 23 20 16 o 4.3630  0.5944 0.4109000      1.189000  
1 1 1 23 20 17 o 2.0590  0.5774 0.7939000      1.155000  
1 1 1 23 20 18 o 5.1430  0.4285 -0.2357000     0.8569000 
1 1 1 23 20 19 o 6.1620  0.3876 -1.325000      0.7753000 
1 1 1 23 20 20 o 6.9790  0.3439 0.1506000      0.6879000 
1 1 1 23 20 21 o 3.9600  0.5144 1.661000       1.029000  
1 1 1 23 20 22 o 3.9990  0.4909 -0.9254000     0.9818000 
1 1 1 23 20 23 o 5.0970  0.3764 -0.1047000     0.7528000 
1 1 1 23 20 24 o 3.2230  0.5592 -1.528000      1.118000  
1 1 1 23 20 25 o 3.3960  0.5340 -1.584000      1.068000  
1 1 1 23 20 26 o 5.0040  0.3846 0.5321000      0.7693000 
1 1 1 23 20 27 o 5.8370  0.3211 -0.5635000     0.6422000 
1 1 1 23 20 28 o 2.2810  0.6158 -0.1371000     1.232000  
1 1 1 23 20 29 o 2.3790  0.6092 0.1925000      1.218000  
1 1 1 23 20 30 o 7.2700  0.2827 0.8341000      0.5654000 
1 1 1 23 20 31 o 3.0060  0.5862 0.1455000      1.172000  
1 1 1 23 20 32 o 1.8520  0.6261 0.3466000      1.252000  
1 1 1 23 20 33 o 2.4630  0.7008 0.5143000      1.402000  
1 1 1 23 20 34 o 3.0760  0.5373 2.337000       1.075000  
1 1 1 23 20 35 o 5.2640  0.4576 -1.158000      0.9151000 
1 1 1 23 20 36 o 2.9150  0.6698 0.2838000      1.340000  
1 1 1 23 20 37 o 5.6460  0.4243 -1.223000      0.8487000 
1 1 1 23 20 38 o 5.5970  0.4716 1.591000       0.9431000 
1 1 1 23 20 39 o 1.8910  0.6259 0.2534000      1.252000  
1 1 1 23 20 40 o 2.4410  0.7049 -0.7335000     1.410000  
1 1 1 23 20 41 o 4.3010  0.6687 3.712000       1.337000  
1 1 1 23 20 42 o 6.5610  0.5085 0.2220000      1.017000  
1 1 1 23 20 43 o 3.5200  0.7482 -1.504000      1.496000  
1 1 1 23 20 44 o 2.2860  0.7217 0.3862000      1.443000  
1 1 1 23 20 45 o 2.5850  0.7717 -0.3692000     1.543000  
1 1 1 23 21 0  o 6.3100  0.5260 0.000000       0.000000  
1 1 1 23 21 1  o 4.8150  0.4824 0.2836000      0.9647000 
1 1 1 23 21 2  o 3.7330  0.6025 -0.6989000     1.205000  
1 1 1 23 21 3  o 4.4820  0.5274 -1.614000      1.055000  
1 1 1 23 21 4  o 8.7510  0.2766 1.016000       0.5533000 
1 1 1 23 21 5  o 5.0700  0.5530 -2.165000      1.106000  
1 1 1 23 21 6  o 4.3260  0.9156 ?              ?         
1 1 1 23 21 7  o 5.9250  0.4305 -0.8979000     0.8609000 
1 1 1 23 21 8  o 4.4710  0.5742 1.906000       1.148000  
1 1 1 23 21 9  o 8.1320  0.3097 -1.134000      0.6194000 
1 1 1 23 21 10 o 2.0680  0.6069 0.4425000      1.214000  
1 1 1 23 21 11 o 5.1300  0.4418 1.024000       0.8836000 
1 1 1 23 21 12 o 3.7700  0.5454 1.121000       1.091000  
1 1 1 23 21 13 o 4.0690  0.5391 -2.337000      1.078000  
1 1 1 23 21 14 o 6.7790  0.3281 -0.3019000     0.6563000 
1 1 1 23 21 15 o 3.1000  0.6402 -0.4288000     1.280000  
1 1 1 23 21 16 o 2.3580  0.6525 1.328000       1.305000  
1 1 1 23 21 17 o 5.5580  0.4858 -0.2078000     0.9715000 
1 1 1 23 21 18 o 3.2430  0.6034 1.296000       1.207000  
1 1 1 23 21 19 o 7.8260  0.2627 0.4503000      0.5254000 
1 1 1 23 21 20 o 4.2560  0.4676 -1.428000      0.9353000 
1 1 1 23 21 21 o 1.9840  0.5733 0.2118000      1.147000  
1 1 1 23 21 22 o 2.8310  0.5272 1.939000       1.054000  
1 1 1 23 21 23 o 2.2060  0.5890 -0.7549000     1.178000  
1 1 1 23 21 24 o 4.9660  0.3906 0.7339000      0.7812000 
1 1 1 23 21 25 o 1.9180  0.5528 0.3768000      1.106000  
1 1 1 23 21 26 o 2.1300  0.5778 -0.7744000     1.156000  
1 1 1 23 21 27 o 4.3730  0.5473 0.8499000      1.095000  
1 1 1 23 21 28 o 3.4510  0.5979 1.760000       1.196000  
1 1 1 23 21 29 o 2.3390  0.6213 -0.6473000     1.243000  
1 1 1 23 21 30 o 4.8950  0.4893 -2.469000      0.9785000 
1 1 1 23 21 31 o 5.7980  0.3812 0.3661000      0.7623000 
1 1 1 23 21 32 o 1.5940  0.5258 0.9614000E-01  1.052000  
1 1 1 23 21 33 o 3.8510  0.7282 -0.9421000     1.456000  
1 1 1 23 21 34 o 1.7780  0.7947 ?              ?         
1 1 1 23 21 35 o 2.4410  0.6308 1.161000       1.262000  
1 1 1 23 21 36 o 2.4620  0.6743 -0.4572000     1.349000  
1 1 1 23 21 37 o 2.6300  0.6256 0.7962000      1.251000  
1 1 1 23 21 38 o 5.4500  0.5227 0.2060000      1.045000  
1 1 1 23 21 39 o 4.0730  0.8015 -0.2457000     1.603000  
1 1 1 23 21 40 o 2.6510  0.7576 -1.162000      1.515000  
1 1 1 23 21 41 o 4.2480  0.7959 0.5970000      1.592000  
1 1 1 23 21 42 o 3.5360  0.8183 0.9179000      1.637000  
1 1 1 23 21 43 o 2.6520  0.7299 -1.089000      1.460000  
1 1 1 23 22 0  o 4.4370  0.6852 0.000000       0.000000  
1 1 1 23 22 1  o 2.2200  0.6036 -0.4645000     1.207000  
1 1 1 23 22 2  o 5.4200  0.3816 1.233000       0.7632000 
1 1 1 23 22 3  o 4.7400  0.4317 0.8170000      0.8633000 
1 1 1 23 22 4  o 2.5360  0.6793 0.3006000      1.359000  
1 1 1 23 22 5  o 4.7220  0.5436 -1.149000      1.087000  
1 1 1 23 22 6  o 5.0740  0.4309 0.2528000      0.8619000 
1 1 1 23 22 7  o 1.7050  0.5600 -0.5130000     1.120000  
1 1 1 23 22 8  o 6.1430  0.3966 -0.3832000     0.7932000 
1 1 1 23 22 9  f 1.8730  0.5713 0.2946000      1.143000  
1 1 1 23 22 10 o 3.0320  0.6273 -0.3121000     1.255000  
1 1 1 23 22 11 o 1.7610  0.5558 -0.1469000     1.112000  
1 1 1 23 22 12 o 4.2680  0.4980 0.4087000      0.9959000 
1 1 1 23 22 13 o 7.1390  0.3029 -0.2459000     0.6057000 
1 1 1 23 22 14 o 5.5230  0.4047 1.015000       0.8094000 
1 1 1 23 22 15 o 4.0610  0.5415 -1.386000      1.083000  
1 1 1 23 22 16 o 1.5460  0.5234 -0.1164000     1.047000  
1 1 1 23 22 17 o 5.2600  0.4791 0.3155000      0.9583000 
1 1 1 23 22 18 o 2.9690  0.6702 0.1410000E-01  1.340000  
1 1 1 23 22 19 o 2.2900  0.6016 -0.3832000     1.203000  
1 1 1 23 22 20 o 1.8320  0.5648 -0.7381000E-01 1.130000  
1 1 1 23 22 21 o 4.0630  0.5360 1.546000       1.072000  
1 1 1 23 22 22 o 5.3520  0.4031 0.4553000      0.8061000 
1 1 1 23 22 23 o 5.6650  0.3681 0.6382000      0.7362000 
1 1 1 23 22 24 f 2.9230  0.6206 -0.5705000     1.241000  
1 1 1 23 22 25 o 2.3010  0.6105 1.224000       1.221000  
1 1 1 23 22 26 o 4.5420  0.7440 ?              ?         
1 1 1 23 22 27 o 5.2290  0.4128 -1.182000      0.8256000 
1 1 1 23 22 28 o 4.5160  0.5390 -1.450000      1.078000  
1 1 1 23 22 29 f 1.9450  0.5931 0.7377000      1.186000  
1 1 1 23 22 30 o 2.2350  0.5996 -0.9787000     1.199000  
1 1 1 23 22 31 o 3.4920  0.5737 -1.719000      1.147000  
1 1 1 23 22 32 o 3.0430  0.6333 0.1715000      1.267000  
1 1 1 23 22 33 o 2.3500  0.6190 -0.1741000     1.238000  
1 1 1 23 22 34 o 2.7000  0.6458 1.885000       1.292000  
1 1 1 23 22 35 o 2.5690  0.7526 1.051000       1.505000  
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1 1 1 24 1  4  o 3.3150  0.7224 0.7802000      1.445000  
1 1 1 24 1  5  f 19.590  0.1890 0.2304000      0.3779000 
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1 1 1 24 1  7  o 21.140  0.1856 -0.1890000     0.3711000 
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1 1 1 24 1  18 o 13.680  0.2988 0.7870000      0.5976000 
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1 1 1 24 1  36 o 5.8130  0.4508 0.5941000      0.9015000 
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1 1 1 24 1  40 o 6.5230  0.4743 -1.811000      0.9485000 
1 1 1 24 1  41 o 2.9350  0.7124 1.417000       1.425000  
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1 1 1 24 2  9  o 18.890  0.1955 0.3016000      0.3909000 
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1 1 1 24 2  15 o 7.4690  0.4593 0.8891000      0.9186000 
1 1 1 24 2  16 o 5.0680  0.6747 -2.522000      1.349000  
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1 1 1 24 2  21 o 5.7120  0.5018 -0.6827000     1.004000  
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1 1 1 24 3  14 o 4.4010  0.7212 -2.035000      1.442000  
1 1 1 24 3  15 o 2.3920  0.7611 0.6152000      1.522000  
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1 1 1 24 3  17 o 7.0200  0.4711 -0.3770000     0.9422000 
1 1 1 24 3  18 o 9.1950  0.3645 -0.8753000     0.7290000 
1 1 1 24 3  19 o 5.5570  0.6590 -1.498000      1.318000  
1 1 1 24 3  20 o 7.0700  0.5382 1.895000       1.076000  
1 1 1 24 3  21 o 13.030  0.3116 1.267000       0.6232000 
1 1 1 24 3  22 o 9.0290  0.4045 -0.6262000     0.8089000 
1 1 1 24 3  23 o 5.9940  0.5947 -0.5099000     1.189000  
1 1 1 24 3  24 o 6.6200  0.5375 0.7077000      1.075000  
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1 1 1 24 3  26 o 7.0980  0.4849 -0.5412000E-01 0.9699000 
1 1 1 24 3  27 o 9.2550  0.3794 -0.1753000E-01 0.7588000 
1 1 1 24 3  28 o 3.0970  0.7916 0.5750000      1.583000  
1 1 1 24 3  29 o 4.1240  0.7428 -1.118000      1.486000  
1 1 1 24 3  30 o 8.6970  0.3624 0.1893000      0.7249000 
1 1 1 24 3  31 o 6.8890  0.4360 -0.3119000     0.8721000 
1 1 1 24 3  32 o 5.3770  0.5679 0.1995000      1.136000  
1 1 1 24 3  33 o 8.5250  0.3699 0.8859000      0.7399000 
1 1 1 24 3  34 o 19.090  0.2461 0.6061000      0.4921000 
1 1 1 24 3  35 o 3.5980  0.7453 -1.670000      1.491000  
1 1 1 24 3  36 o 7.4370  0.3919 -1.234000      0.7838000 
1 1 1 24 3  37 o 2.6780  0.6885 1.024000       1.377000  
1 1 1 24 3  38 o 12.540  0.2973 -0.9205000     0.5946000 
1 1 1 24 3  39 f 5.9430  0.5036 0.8920000      1.007000  
1 1 1 24 3  40 o 2.1350  0.6679 -0.6030000     1.336000  
1 1 1 24 3  41 o 5.4150  0.6120 2.158000       1.224000  
1 1 1 24 3  42 f 3.5810  0.7597 1.787000       1.519000  
1 1 1 24 3  43 o 4.4560  0.7498 ?              ?         
1 1 1 24 3  44 o 2.4330  0.9257 ?              ?         
1 1 1 24 3  45 o 4.6890  0.7203 -0.6136000     1.441000  
1 1 1 24 3  46 o 4.7890  0.5478 -0.6034000     1.096000  
1 1 1 24 3  47 o 2.0060  0.6157 -0.4806000E-02 1.231000  
1 1 1 24 3  48 o 5.2580  0.4697 -0.7038000     0.9393000 
1 1 1 24 3  49 o 4.8110  0.5807 -1.333000      1.161000  
1 1 1 24 3  50 o 2.6740  0.6205 1.571000       1.241000  
1 1 1 24 3  51 o 2.6960  0.6931 0.6440000      1.386000  
1 1 1 24 3  52 o 2.2200  0.6486 -0.6850000     1.297000  
1 1 1 24 3  53 o 3.5310  0.6491 -0.9105000     1.298000  
1 1 1 24 3  54 o 5.5630  0.4461 0.4429000      0.8921000 
1 1 1 24 3  55 o 3.2710  0.6569 -1.201000      1.314000  
1 1 1 24 3  56 o 2.0740  0.6272 0.1493000      1.254000  
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1 1 1 24 4  2  o 4.9410  0.5931 0.8624000      1.186000  
1 1 1 24 4  3  o 12.060  0.2487 0.2299000      0.4974000 
1 1 1 24 4  4  o 13.230  0.2313 -0.3059000E-01 0.4626000 
1 1 1 24 4  5  o 8.0710  0.3501 -0.6880000     0.7002000 
1 1 1 24 4  6  o 14.150  0.2244 0.2333000E-01  0.4488000 
1 1 1 24 4  7  o 7.2780  0.3928 -0.3304000     0.7855000 
1 1 1 24 4  8  o 10.660  0.4283 ?              ?         
1 1 1 24 4  9  o 11.170  0.2901 -0.8717000     0.5802000 
1 1 1 24 4  10 o 7.6530  0.4286 -1.648000      0.8572000 
1 1 1 24 4  11 o 7.0340  0.4402 0.7642000      0.8804000 
1 1 1 24 4  12 o 10.180  0.2923 0.3093000      0.5846000 
1 1 1 24 4  13 o 6.3060  0.4539 -0.1893000     0.9078000 
1 1 1 24 4  14 o 10.740  0.3940 -0.2132000     0.7880000 
1 1 1 24 4  15 o 10.310  0.4178 -0.9258000     0.8355000 
1 1 1 24 4  16 o 5.4540  0.7734 1.876000       1.547000  
1 1 1 24 4  17 o 5.6080  0.6075 -0.2135000     1.215000  
1 1 1 24 4  18 o 7.2770  0.6060 -1.162000      1.212000  
1 1 1 24 4  19 o 10.890  0.4327 0.3116000      0.8655000 
1 1 1 24 4  20 o 4.0140  0.8223 0.4775000E-01  1.645000  
1 1 1 24 4  21 o 9.3620  0.3948 -0.9066000     0.7895000 
1 1 1 24 4  22 o 13.920  0.2701 0.1735000      0.5402000 
1 1 1 24 4  23 o 9.8440  0.3369 -0.1539000     0.6739000 
1 1 1 24 4  24 o 2.4480  0.7024 0.7395000      1.405000  
1 1 1 24 4  25 o 14.000  0.2655 0.1146000      0.5310000 
1 1 1 24 4  26 o 8.9210  0.3674 0.5567000E-01  0.7349000 
1 1 1 24 4  27 o 7.2890  0.4245 -0.7825000     0.8489000 
1 1 1 24 4  28 o 2.5210  0.7240 -0.3173000     1.448000  
1 1 1 24 4  29 o 6.4170  0.4698 -0.3989000     0.9395000 
1 1 1 24 4  30 o 11.390  0.2902 0.5219000      0.5804000 
1 1 1 24 4  31 o 5.6000  0.5544 0.8686000      1.109000  
1 1 1 24 4  32 o 8.7550  0.3157 -0.5565000E-01 0.6315000 
1 1 1 24 4  33 o 3.9040  0.6583 -0.1380000     1.317000  
1 1 1 24 4  34 o 2.0930  0.6354 0.3958000      1.271000  
1 1 1 24 4  35 o 9.4380  0.2930 -0.2255000     0.5860000 
1 1 1 24 4  36 o 10.130  0.2642 0.8831000E-01  0.5284000 
1 1 1 24 4  37 o 8.0090  0.3783 0.3322000      0.7566000 
1 1 1 24 4  38 o 2.5130  0.6845 -0.4971000     1.369000  
1 1 1 24 4  39 o 2.9720  0.6471 1.545000       1.294000  
1 1 1 24 4  40 o 4.9360  0.6041 -2.594000      1.208000  
1 1 1 24 4  41 o 5.8190  0.4771 -0.2458000     0.9542000 
1 1 1 24 4  42 o 2.6930  0.7144 0.2578000      1.429000  
1 1 1 24 4  43 o 2.1000  0.6858 -0.8092000     1.372000  
1 1 1 24 4  44 o 3.3240  0.6503 1.556000       1.301000  
1 1 1 24 4  45 o 1.9060  0.6033 0.3386000      1.207000  
1 1 1 24 4  46 o 4.6230  0.6270 -0.9046000E-01 1.254000  
1 1 1 24 4  47 o 3.3310  0.6525 1.809000       1.305000  
1 1 1 24 4  48 o 9.5170  0.3340 1.693000       0.6679000 
1 1 1 24 4  49 o 6.0010  0.4230 0.1580000      0.8459000 
1 1 1 24 4  50 o 8.5070  0.3245 -0.4370000     0.6490000 
1 1 1 24 4  51 o 4.6890  0.5276 0.1449000      1.055000  
1 1 1 24 4  52 o 2.2550  0.6106 1.123000       1.221000  
1 1 1 24 4  53 o 2.7870  0.6483 1.032000       1.297000  
1 1 1 24 4  54 o 3.5720  0.6526 -0.2323000     1.305000  
1 1 1 24 4  55 o 2.3140  0.6524 0.1031000      1.305000  
1 1 1 24 4  56 o 6.2860  0.3964 -0.1901000     0.7928000 
1 1 1 24 4  57 o 1.8230  0.5756 0.4584000      1.151000  
1 1 1 24 5  0  f 25.760  0.2677 0.000000       0.000000  
1 1 1 24 5  1  o 18.870  0.2015 0.4008000      0.4030000 
1 1 1 24 5  2  o 12.730  0.2514 -1.162000      0.5028000 
1 1 1 24 5  3  o 6.0470  0.4796 -1.624000      0.9593000 
1 1 1 24 5  4  o 16.160  0.2194 1.168000       0.4389000 
1 1 1 24 5  5  o 9.2580  0.3108 0.7587000E-01  0.6216000 
1 1 1 24 5  6  o 9.8120  0.3124 -0.3256000     0.6248000 
1 1 1 24 5  7  o 13.690  0.2467 -0.2300000     0.4934000 
1 1 1 24 5  8  o 9.6000  0.3237 -0.1130000E-01 0.6474000 
1 1 1 24 5  9  o 7.2480  0.4206 -0.3829000     0.8412000 
1 1 1 24 5  10 o 7.0740  0.4753 -0.2685000     0.9505000 
1 1 1 24 5  11 o 9.7410  0.3179 -0.2582000     0.6359000 
1 1 1 24 5  12 o 13.320  0.2678 0.8521000      0.5356000 
1 1 1 24 5  13 o 4.6570  0.6738 -1.540000      1.348000  
1 1 1 24 5  14 o 22.130  0.2493 ?              ?         
1 1 1 24 5  15 o 11.050  0.4138 ?              ?         
1 1 1 24 5  16 o 16.160  0.4048 ?              ?         
1 1 1 24 5  17 o 3.0010  0.8702 -0.6738000     1.740000  
1 1 1 24 5  18 o 4.0370  0.8848 -1.658000      1.770000  
1 1 1 24 5  19 o 7.9780  0.5255 0.5824000      1.051000  
1 1 1 24 5  20 o 21.790  0.2230 1.354000       0.4460000 
1 1 1 24 5  21 o 8.1420  0.3971 -0.5885000     0.7941000 
1 1 1 24 5  22 o 8.5690  0.3834 0.1834000      0.7669000 
1 1 1 24 5  23 o 13.450  0.2689 -0.4396000E-02 0.5377000 
1 1 1 24 5  24 o 3.3500  0.7355 1.154000       1.471000  
1 1 1 24 5  25 o 13.010  0.2774 0.2104000      0.5548000 
1 1 1 24 5  26 o 14.830  0.2535 -0.4699000E-01 0.5071000 
1 1 1 24 5  27 o 8.7770  0.3648 0.6671000      0.7296000 
1 1 1 24 5  28 o 12.040  0.2793 -0.9868000     0.5587000 
1 1 1 24 5  29 o 5.1660  0.6123 1.858000       1.225000  
1 1 1 24 5  30 o 3.5000  0.7324 0.2771000      1.465000  
1 1 1 24 5  31 o 9.3570  0.3363 0.6916000E-01  0.6726000 
1 1 1 24 5  32 o 9.9810  0.2897 1.413000       0.5794000 
1 1 1 24 5  33 o 7.2390  0.3678 -0.2797000E-01 0.7356000 
1 1 1 24 5  34 o 2.2160  0.6599 -0.6365000E-01 1.320000  
1 1 1 24 5  35 o 2.7400  0.6994 -0.6501000     1.399000  
1 1 1 24 5  36 o 5.6930  0.4589 -0.3954000     0.9177000 
1 1 1 24 5  37 o 5.7230  0.4179 -0.7359000     0.8359000 
1 1 1 24 5  38 o 5.0750  0.5042 1.628000       1.008000  
1 1 1 24 5  39 o 3.2960  0.6406 1.560000       1.281000  
1 1 1 24 5  40 o 4.8680  0.5732 0.5706000      1.146000  
1 1 1 24 5  41 o 3.2920  0.7238 0.2476000      1.448000  
1 1 1 24 5  42 o 2.8660  0.7563 0.3048000      1.513000  
1 1 1 24 5  43 o 4.5110  0.7494 -0.6885000     1.499000  
1 1 1 24 5  44 o 5.4230  0.5347 1.124000       1.069000  
1 1 1 24 5  45 o 4.4930  0.5806 1.544000       1.161000  
1 1 1 24 5  46 o 6.7910  0.4526 0.7722000      0.9051000 
1 1 1 24 5  47 f 6.5070  0.4752 0.1662000      0.9504000 
1 1 1 24 5  48 o 2.2620  0.6419 1.015000       1.284000  
1 1 1 24 5  49 o 6.6520  0.3727 -0.6415000E-01 0.7453000 
1 1 1 24 5  50 o 5.7630  0.4204 -0.9260000     0.8409000 
1 1 1 24 5  51 o 2.6310  0.6460 -1.444000      1.292000  
1 1 1 24 5  52 o 5.8220  0.3952 1.252000       0.7904000 
1 1 1 24 5  53 o 6.0190  0.3727 -1.168000      0.7453000 
1 1 1 24 5  54 o 2.3610  0.6383 0.2238000      1.277000  
1 1 1 24 5  55 o 4.1580  0.5466 -0.6243000     1.093000  
1 1 1 24 5  56 o 3.4870  0.6280 -0.4047000     1.256000  
1 1 1 24 5  57 o 2.7630  0.6638 -0.4353000     1.328000  
1 1 1 24 6  0  o 7.2560  0.5600 0.000000       0.000000  
1 1 1 24 6  1  o 12.750  0.2486 -0.9611000E-01 0.4972000 
1 1 1 24 6  2  o 14.290  0.2310 -0.3842000     0.4621000 
1 1 1 24 6  3  o 11.650  0.2697 -0.3707000     0.5395000 
1 1 1 24 6  4  o 6.7790  0.4346 -0.3501000     0.8691000 
1 1 1 24 6  5  o 11.400  0.3145 1.490000       0.6290000 
1 1 1 24 6  6  o 10.650  0.2973 -0.4953000     0.5946000 
1 1 1 24 6  7  o 3.6400  0.7468 0.5260000E-02  1.494000  
1 1 1 24 6  8  o 9.6430  0.3228 0.8328000      0.6456000 
1 1 1 24 6  9  f 2.4330  0.7011 0.4724000E-01  1.402000  
1 1 1 24 6  10 f 9.3280  0.3180 -0.9578000     0.6359000 
1 1 1 24 6  11 o 8.8620  0.4270 -0.4290000     0.8540000 
1 1 1 24 6  12 o 7.4720  0.4477 -0.3401000     0.8954000 
1 1 1 24 6  13 o 9.3350  0.5586 -2.791000      1.117000  
1 1 1 24 6  14 o 6.2130  0.6983 ?              ?         
1 1 1 24 6  15 o 4.4960  0.7817 -2.566000      1.563000  
1 1 1 24 6  16 f 12.000  0.3101 -0.7702000     0.6203000 
1 1 1 24 6  17 o 10.270  0.4032 ?              ?         
1 1 1 24 6  18 o 5.1820  0.7458 -1.178000      1.492000  
1 1 1 24 6  19 o 17.500  0.2987 0.9264000      0.5975000 
1 1 1 24 6  20 o 7.0470  0.4704 1.106000       0.9408000 
1 1 1 24 6  21 o 8.2740  0.3961 1.031000       0.7922000 
1 1 1 24 6  22 o 5.2610  0.6174 0.7852000      1.235000  
1 1 1 24 6  23 o 2.8550  0.7611 -0.1989000     1.522000  
1 1 1 24 6  24 o 10.700  0.3143 -0.3027000     0.6286000 
1 1 1 24 6  25 o 8.9350  0.3614 0.1333000E-01  0.7229000 
1 1 1 24 6  26 o 2.5840  0.7311 -0.6064000     1.462000  
1 1 1 24 6  27 o 5.9360  0.5051 -0.1154000     1.010000  
1 1 1 24 6  28 f 6.4150  0.4798 0.9568000      0.9595000 
1 1 1 24 6  29 o 2.9320  0.7418 -0.6147000     1.484000  
1 1 1 24 6  30 o 5.4050  0.5248 -1.122000      1.050000  
1 1 1 24 6  31 o 5.3820  0.4887 -0.9974000     0.9774000 
1 1 1 24 6  32 o 5.3720  0.4988 1.030000       0.9977000 
1 1 1 24 6  33 o 7.0370  0.3792 0.6901000      0.7583000 
1 1 1 24 6  34 o 1.9270  0.5954 0.8462000      1.191000  
1 1 1 24 6  35 o 13.700  0.2317 0.4716000      0.4634000 
1 1 1 24 6  36 o 6.8650  0.3788 -0.7379000     0.7576000 
1 1 1 24 6  37 o 4.2600  0.5562 0.2574000      1.112000  
1 1 1 24 6  38 o 4.8050  0.5347 0.7851000E-01  1.069000  
1 1 1 24 6  39 o 6.6030  0.3953 0.2547000      0.7906000 
1 1 1 24 6  40 o 6.3980  0.4637 -0.9539000     0.9274000 
1 1 1 24 6  41 o 2.9740  0.7438 -0.4077000     1.488000  
1 1 1 24 6  42 o 2.7030  0.7647 -0.1777000     1.529000  
1 1 1 24 6  43 o 4.0040  0.7968 1.563000       1.594000  
1 1 1 24 6  44 f 4.7120  0.6417 -0.1658000     1.283000  
1 1 1 24 6  45 o 4.0370  0.7903 -1.278000      1.581000  
1 1 1 24 6  46 o 3.8850  0.7699 -0.4915000     1.540000  
1 1 1 24 6  47 o 2.2670  0.6784 -0.2228000     1.357000  
1 1 1 24 6  48 o 8.6470  0.3476 -0.1343000     0.6951000 
1 1 1 24 6  49 f 4.2950  0.6189 -1.460000      1.238000  
1 1 1 24 6  50 o 3.0330  0.7126 -0.1265000E-01 1.425000  
1 1 1 24 6  51 o 5.4790  0.5076 -0.4537000     1.015000  
1 1 1 24 6  52 o 2.2700  0.6556 -0.5384000     1.311000  
1 1 1 24 6  53 o 3.0420  0.7353 0.4887000      1.471000  
1 1 1 24 6  54 o 5.7790  0.4911 1.269000       0.9823000 
1 1 1 24 6  55 o 3.3460  0.6341 -0.2108000E-01 1.268000  
1 1 1 24 6  56 o 5.3070  0.4426 1.005000       0.8852000 
1 1 1 24 7  0  o 7.1520  0.5849 0.000000       0.000000  
1 1 1 24 7  1  o 14.090  0.2334 -0.5503000     0.4669000 
1 1 1 24 7  2  o 3.5910  0.7247 -0.9561000     1.449000  
1 1 1 24 7  3  o 2.5570  0.7205 -0.3959000     1.441000  
1 1 1 24 7  4  o 4.2320  0.6713 -1.576000      1.343000  
1 1 1 24 7  5  o 2.9570  0.7231 1.022000       1.446000  
1 1 1 24 7  6  o 11.500  0.2780 1.140000       0.5560000 
1 1 1 24 7  7  o 6.5230  0.5011 0.1193000      1.002000  
1 1 1 24 7  8  o 2.4630  0.7135 -0.3007000     1.427000  
1 1 1 24 7  9  o 6.2340  0.4857 -0.3631000     0.9714000 
1 1 1 24 7  10 o 2.5610  0.7228 -0.1838000     1.446000  
1 1 1 24 7  11 o 3.2370  0.8102 -0.5395000     1.620000  
1 1 1 24 7  12 o 9.9510  0.4669 -1.347000      0.9337000 
1 1 1 24 7  13 o 6.3090  0.7668 -0.7089000     1.534000  
1 1 1 24 7  14 o 7.5480  0.7437 -3.713000      1.487000  
1 1 1 24 7  15 o 15.780  0.2699 -1.157000      0.5398000 
1 1 1 24 7  16 o 4.9450  0.6028 -1.808000      1.206000  
1 1 1 24 7  17 o 2.2790  0.7296 -0.2375000     1.459000  
1 1 1 24 7  18 o 13.730  0.3433 0.7936000      0.6866000 
1 1 1 24 7  19 o 13.060  0.3247 ?              ?         
1 1 1 24 7  20 o 2.7850  0.7113 1.023000       1.423000  
1 1 1 24 7  21 o 2.9300  0.7470 -1.490000      1.494000  
1 1 1 24 7  22 o 3.6910  0.7285 0.7919000      1.457000  
1 1 1 24 7  23 f 7.7290  0.4216 1.168000       0.8432000 
1 1 1 24 7  24 o 3.9670  0.7366 -0.4299000     1.473000  
1 1 1 24 7  25 o 8.4450  0.3817 0.9803000      0.7635000 
1 1 1 24 7  26 o 4.6050  0.6494 -0.5061000     1.299000  
1 1 1 24 7  27 o 2.2640  0.6901 -0.5352000     1.380000  
1 1 1 24 7  28 o 7.4110  0.4169 1.097000       0.8339000 
1 1 1 24 7  29 o 5.5690  0.5339 0.6304000      1.068000  
1 1 1 24 7  30 o 2.2120  0.6577 -0.4447000     1.315000  
1 1 1 24 7  31 o 5.8250  0.4448 -0.7907000     0.8896000 
1 1 1 24 7  32 o 3.6800  0.6675 -0.2339000E-01 1.335000  
1 1 1 24 7  33 o 7.3140  0.3679 1.317000       0.7358000 
1 1 1 24 7  34 o 4.9320  0.5219 -0.8000000     1.044000  
1 1 1 24 7  35 o 7.1550  0.3698 0.2049000      0.7395000 
1 1 1 24 7  36 f 7.7330  0.3508 0.7286000      0.7017000 
1 1 1 24 7  37 o 3.0950  0.7050 -1.320000      1.410000  
1 1 1 24 7  38 o 7.8380  0.3801 0.9507000      0.7602000 
1 1 1 24 7  39 o 3.2220  0.7423 0.5281000      1.485000  
1 1 1 24 7  40 o 6.5340  0.3691 0.1375000      0.7383000 
1 1 1 24 7  41 o 2.0690  0.6893 -1.283000      1.379000  
1 1 1 24 7  42 o 3.5340  0.5964 2.061000       1.193000  
1 1 1 24 7  43 o 2.8860  0.5926 1.341000       1.185000  
1 1 1 24 7  44 o 2.4170  0.6471 -0.1829000     1.294000  
1 1 1 24 7  45 o 5.5890  0.3849 0.1808000      0.7697000 
1 1 1 24 7  46 o 9.6780  0.2695 0.1483000E-01  0.5390000 
1 1 1 24 7  47 o 2.2600  0.6259 -0.3536000     1.252000  
1 1 1 24 7  48 o 3.4380  0.5960 0.7469000      1.192000  
1 1 1 24 7  49 o 3.7050  0.6010 -0.5226000     1.202000  
1 1 1 24 7  50 o 3.4900  0.5802 0.9274000      1.160000  
1 1 1 24 7  51 o 2.1070  0.6049 -0.5801000     1.210000  
1 1 1 24 7  52 o 4.0000  0.5487 -0.5702000E-01 1.097000  
1 1 1 24 7  53 o 2.4660  0.6400 -0.6472000     1.280000  
1 1 1 24 7  54 o 3.0190  0.6097 1.218000       1.219000  
1 1 1 24 7  55 o 3.9770  0.5527 -2.015000      1.105000  
1 1 1 24 7  56 o 4.8740  0.4823 0.6269000      0.9645000 
1 1 1 24 8  0  o 21.250  0.2782 0.000000       0.000000  
1 1 1 24 8  1  o 15.790  0.2209 0.5487000      0.4418000 
1 1 1 24 8  2  o 3.4280  0.6459 2.504000       1.292000  
1 1 1 24 8  3  o 3.7360  0.7115 -1.115000      1.423000  
1 1 1 24 8  4  o 5.1660  0.5760 -1.259000      1.152000  
1 1 1 24 8  5  o 3.4410  0.7438 1.577000       1.488000  
1 1 1 24 8  6  o 5.4070  0.5915 -0.6718000     1.183000  
1 1 1 24 8  7  o 2.5860  0.7107 -1.195000      1.421000  
1 1 1 24 8  8  o 6.4830  0.5311 0.5361000      1.062000  
1 1 1 24 8  9  o 11.600  0.3175 1.079000       0.6349000 
1 1 1 24 8  10 o 8.1820  0.3820 -0.5359000     0.7639000 
1 1 1 24 8  11 o 9.0190  0.3941 -1.255000      0.7883000 
1 1 1 24 8  12 o 7.8000  0.4359 0.9613000      0.8718000 
1 1 1 24 8  13 o 3.6710  0.9097 1.316000       1.819000  
1 1 1 24 8  14 o 4.0780  0.7389 -0.4500000     1.478000  
1 1 1 24 8  15 o 6.0860  0.5190 0.9163000      1.038000  
1 1 1 24 8  16 o 8.0820  0.5840 1.847000       1.168000  
1 1 1 24 8  17 o 13.670  0.3482 0.3515000      0.6963000 
1 1 1 24 8  18 o 8.3430  0.4988 -0.4094000     0.9975000 
1 1 1 24 8  19 o 3.6340  0.7268 1.122000       1.454000  
1 1 1 24 8  20 o 5.2420  0.5400 1.559000       1.080000  
1 1 1 24 8  21 o 3.7170  0.7395 -1.665000      1.479000  
1 1 1 24 8  22 o 13.750  0.2645 -0.2837000     0.5290000 
1 1 1 24 8  23 o 6.1660  0.5084 0.1002000      1.017000  
1 1 1 24 8  24 o 12.120  0.2816 -0.1677000     0.5632000 
1 1 1 24 8  25 o 3.5290  0.7546 -0.3770000     1.509000  
1 1 1 24 8  26 o 19.350  0.2244 0.2222000      0.4488000 
1 1 1 24 8  27 o 11.900  0.2801 -0.5349000     0.5602000 
1 1 1 24 8  28 o 3.3320  0.7350 -0.2231000E-01 1.470000  
1 1 1 24 8  29 o 6.5660  0.4508 0.9832000      0.9015000 
1 1 1 24 8  30 o 4.9700  0.5206 -0.7881000     1.041000  
1 1 1 24 8  31 f 7.5420  0.3506 0.5587000      0.7012000 
1 1 1 24 8  32 o 4.4760  0.5790 -0.5799000     1.158000  
1 1 1 24 8  33 o 6.1950  0.4257 0.7850000      0.8514000 
1 1 1 24 8  34 o 7.3120  0.3650 1.066000       0.7300000 
1 1 1 24 8  35 o 2.6290  0.7279 0.2497000      1.456000  
1 1 1 24 8  36 o 9.4280  0.2722 0.5519000      0.5445000 
1 1 1 24 8  37 o 6.8580  0.3546 0.9123000      0.7092000 
1 1 1 24 8  38 o 2.7620  0.6853 -0.5228000     1.371000  
1 1 1 24 8  39 o 11.770  0.2367 -0.2263000     0.4733000 
1 1 1 24 8  40 o 2.1890  0.6059 0.2769000      1.212000  
1 1 1 24 8  41 o 1.7970  0.5896 -0.6970000     1.179000  
1 1 1 24 8  42 f 3.4930  0.6701 -0.4979000     1.340000  
1 1 1 24 8  43 o 1.9920  0.6004 -0.8390000     1.201000  
1 1 1 24 8  44 o 6.0900  0.3498 0.2749000E-01  0.6997000 
1 1 1 24 8  45 o 10.190  0.2317 -0.5859000     0.4634000 
1 1 1 24 8  46 o 2.8550  0.6064 -1.392000      1.213000  
1 1 1 24 8  47 o 2.8640  0.6193 -0.2221000     1.239000  
1 1 1 24 8  48 o 4.8700  0.3940 -0.5405000     0.7880000 
1 1 1 24 8  49 o 1.9840  0.5829 -0.6389000     1.166000  
1 1 1 24 8  50 o 2.3470  0.6386 -0.1483000     1.277000  
1 1 1 24 8  51 o 5.5140  0.3821 -1.014000      0.7643000 
1 1 1 24 8  52 o 3.6630  0.5741 0.8270000      1.148000  
1 1 1 24 8  53 o 2.0250  0.5947 0.1044000      1.189000  
1 1 1 24 8  54 f 5.5480  0.3945 -0.1188000     0.7890000 
1 1 1 24 8  55 o 6.6130  0.3798 0.5571000      0.7596000 
1 1 1 24 9  0  o 7.0640  0.6672 0.000000       0.000000  
1 1 1 24 9  1  o 10.960  0.3039 -0.3094000E-01 0.6079000 
1 1 1 24 9  2  o 20.670  0.2140 0.2385000      0.4281000 
1 1 1 24 9  3  o 3.5520  0.7634 -0.5267000     1.527000  
1 1 1 24 9  4  o 2.7260  0.7462 0.7708000      1.492000  
1 1 1 24 9  5  o 2.4880  0.7300 0.2062000      1.460000  
1 1 1 24 9  6  o 2.5200  0.7344 0.2623000      1.469000  
1 1 1 24 9  7  o 10.370  0.3736 1.383000       0.7472000 
1 1 1 24 9  8  o 4.1310  0.7363 0.2194000      1.473000  
1 1 1 24 9  9  o 5.6920  0.5509 -1.481000      1.102000  
1 1 1 24 9  10 o 6.2180  0.8474 ?              ?         
1 1 1 24 9  11 o 3.6160  0.8250 -0.5307000     1.650000  
1 1 1 24 9  12 o 3.0550  0.7400 2.351000       1.480000  
1 1 1 24 9  13 o 5.4020  0.6148 -1.370000      1.230000  
1 1 1 24 9  14 o 17.510  0.2268 -0.2017000E-01 0.4535000 
1 1 1 24 9  15 o 5.1510  0.6361 -0.2561000     1.272000  
1 1 1 24 9  16 o 5.8870  0.7658 1.392000       1.532000  
1 1 1 24 9  17 o 16.420  0.3179 -0.5804000     0.6358000 
1 1 1 24 9  18 o 9.1550  0.3740 1.732000       0.7480000 
1 1 1 24 9  19 o 3.3550  0.6849 1.256000       1.370000  
1 1 1 24 9  20 o 2.9970  0.7164 0.2313000      1.433000  
1 1 1 24 9  21 o 2.9920  0.7183 -0.9240000E-01 1.437000  
1 1 1 24 9  22 o 12.350  0.2858 -0.7873000E-01 0.5716000 
1 1 1 24 9  23 o 3.0200  0.7368 0.4829000      1.474000  
1 1 1 24 9  24 o 9.7240  0.3286 0.2253000E-02  0.6572000 
1 1 1 24 9  25 f 6.8900  0.4567 0.6001000      0.9134000 
1 1 1 24 9  26 o 5.4180  0.5468 -0.6011000E-01 1.094000  
1 1 1 24 9  27 o 8.1960  0.3734 0.6678000      0.7468000 
1 1 1 24 9  28 o 8.3490  0.3710 0.7633000      0.7420000 
1 1 1 24 9  29 o 8.6220  0.3153 -0.4823000     0.6306000 
1 1 1 24 9  30 o 10.020  0.2571 0.5927000      0.5142000 
1 1 1 24 9  31 o 11.220  0.2391 1.298000       0.4781000 
1 1 1 24 9  32 o 8.4280  0.2964 0.9032000      0.5929000 
1 1 1 24 9  33 o 3.0960  0.6231 -1.689000      1.246000  
1 1 1 24 9  34 o 9.6470  0.3130 -0.2756000     0.6259000 
1 1 1 24 9  35 f 4.8410  0.4946 1.347000       0.9892000 
1 1 1 24 9  36 o 6.8030  0.3517 1.079000       0.7035000 
1 1 1 24 9  37 o 5.0980  0.5518 0.8927000      1.104000  
1 1 1 24 9  38 o 8.8890  0.2829 -0.4544000     0.5658000 
1 1 1 24 9  39 o 7.7400  0.2857 0.4987000      0.5715000 
1 1 1 24 9  40 o 5.2050  0.5179 -0.1341000E-01 1.036000  
1 1 1 24 9  41 o 2.7530  0.6892 -0.6582000     1.378000  
1 1 1 24 9  42 o 6.1800  0.3693 -0.3579000     0.7386000 
1 1 1 24 9  43 o 5.4480  0.3691 0.2148000      0.7382000 
1 1 1 24 9  44 f 2.5180  0.6205 0.2123000E-01  1.241000  
1 1 1 24 9  45 o 2.8340  0.6108 0.4670000      1.222000  
1 1 1 24 9  46 o 4.2380  0.4931 0.5191000      0.9862000 
1 1 1 24 9  47 o 5.1240  0.3915 0.6083000      0.7830000 
1 1 1 24 9  48 o 7.8950  0.2655 0.4446000      0.5310000 
1 1 1 24 9  49 o 4.3180  0.4494 -0.9998000     0.8989000 
1 1 1 24 9  50 o 2.0480  0.5751 0.1533000      1.150000  
1 1 1 24 9  51 o 4.3470  0.5159 0.3394000      1.032000  
1 1 1 24 9  52 o 2.9990  0.5733 0.6921000      1.147000  
1 1 1 24 9  53 o 4.3690  0.4971 0.3957000      0.9942000 
1 1 1 24 9  54 o 2.8520  0.6372 -0.4066000     1.274000  
1 1 1 24 9  55 o 5.8580  0.3957 0.7528000      0.7913000 
1 1 1 24 10 0  o 1.3230  0.9234 0.000000       0.000000  
1 1 1 24 10 1  o 4.4690  0.7298 -0.2419000     1.460000  
1 1 1 24 10 2  o 10.580  0.3265 0.7609000      0.6531000 
1 1 1 24 10 3  o 3.5050  0.7696 0.1453000      1.539000  
1 1 1 24 10 4  o 3.8980  0.7458 -0.1224000     1.492000  
1 1 1 24 10 5  o 5.5510  0.5644 0.2516000      1.129000  
1 1 1 24 10 6  o 8.8100  0.3618 0.1158000      0.7237000 
1 1 1 24 10 7  o 3.4790  0.7431 -1.562000      1.486000  
1 1 1 24 10 8  o 8.9350  0.3529 -0.1149000     0.7058000 
1 1 1 24 10 9  o 11.040  0.2999 -0.2643000     0.5999000 
1 1 1 24 10 10 f 4.5540  0.7031 3.035000       1.406000  
1 1 1 24 10 11 o 3.2100  0.6768 -2.814000      1.354000  
1 1 1 24 10 12 o 9.5440  0.5078 1.366000       1.016000  
1 1 1 24 10 13 o 3.6920  0.7866 0.5337000      1.573000  
1 1 1 24 10 14 o 8.4690  0.5554 1.458000       1.111000  
1 1 1 24 10 15 o 8.3580  0.4139 1.645000       0.8278000 
1 1 1 24 10 16 o 10.540  0.4210 0.4173000E-01  0.8420000 
1 1 1 24 10 17 o 5.0730  0.7775 1.597000       1.555000  
1 1 1 24 10 18 o 6.3630  0.4656 -0.1865000     0.9311000 
1 1 1 24 10 19 o 14.660  0.2466 0.3999000      0.4931000 
1 1 1 24 10 20 o 4.8990  0.5915 1.882000       1.183000  
1 1 1 24 10 21 o 14.030  0.2249 0.7501000E-01  0.4497000 
1 1 1 24 10 22 o 20.300  0.1921 0.5606000      0.3842000 
1 1 1 24 10 23 o 3.7190  0.6274 -0.7901000     1.255000  
1 1 1 24 10 24 o 7.5230  0.3518 -0.1372000E-02 0.7036000 
1 1 1 24 10 25 o 3.9400  0.6430 0.3754000      1.286000  
1 1 1 24 10 26 o 2.6590  0.6745 0.5553000      1.349000  
1 1 1 24 10 27 o 7.8930  0.3280 0.3096000      0.6561000 
1 1 1 24 10 28 o 4.9740  0.4840 -1.369000      0.9680000 
1 1 1 24 10 29 o 2.0520  0.6176 0.9655000E-01  1.235000  
1 1 1 24 10 30 o 6.9990  0.3426 0.5826000      0.6852000 
1 1 1 24 10 31 o 4.2100  0.5672 1.308000       1.134000  
1 1 1 24 10 32 o 5.9800  0.4783 -0.7190000     0.9566000 
1 1 1 24 10 33 o 10.340  0.2457 -0.4362000     0.4914000 
1 1 1 24 10 34 o 5.0660  0.4508 0.2042000      0.9015000 
1 1 1 24 10 35 o 3.5180  0.6191 0.8963000      1.238000  
1 1 1 24 10 36 o 9.5680  0.2885 0.6543000      0.5771000 
1 1 1 24 10 37 o 9.5070  0.3058 0.2053000      0.6115000 
1 1 1 24 10 38 o 4.1230  0.5972 0.9512000      1.194000  
1 1 1 24 10 39 o 2.9350  0.6958 -0.7723000     1.392000  
1 1 1 24 10 40 o 3.2260  0.6676 0.2853000      1.335000  
1 1 1 24 10 41 o 6.4830  0.3612 0.4819000      0.7223000 
1 1 1 24 10 42 o 6.9670  0.3167 -0.8525000     0.6334000 
1 1 1 24 10 43 o 2.5670  0.6107 -0.4308000     1.221000  
1 1 1 24 10 44 o 2.6750  0.6033 0.3524000      1.207000  
1 1 1 24 10 45 o 4.6380  0.4385 0.5483000      0.8770000 
1 1 1 24 10 46 o 2.8300  0.5627 0.7340000      1.125000  
1 1 1 24 10 47 o 3.8930  0.5021 0.5424000      1.004000  
1 1 1 24 10 48 o 3.1340  0.5589 -1.313000      1.118000  
1 1 1 24 10 49 o 2.1740  0.5801 -1.275000      1.160000  
1 1 1 24 10 50 o 5.2550  0.4025 0.8224000      0.8049000 
1 1 1 24 10 51 o 5.0880  0.4368 0.1531000      0.8737000 
1 1 1 24 10 52 o 1.6290  0.5342 -0.6572000     1.068000  
1 1 1 24 10 53 f 2.8540  0.6200 -0.7126000E-01 1.240000  
1 1 1 24 10 54 o 2.5510  0.6025 0.2629000      1.205000  
1 1 1 24 11 0  o 1.4050  0.9458 0.000000       0.000000  
1 1 1 24 11 1  f 1.7900  0.5927 0.3119000      1.185000  
1 1 1 24 11 2  o 3.4700  0.7189 0.8148000      1.438000  
1 1 1 24 11 3  o 11.620  0.2858 0.6427000      0.5715000 
1 1 1 24 11 4  o 12.710  0.2702 0.3759000      0.5403000 
1 1 1 24 11 5  o 3.4500  0.7545 -0.6510000     1.509000  
1 1 1 24 11 6  o 7.3440  0.4084 -0.5644000     0.8168000 
1 1 1 24 11 7  o 3.2010  0.7589 -0.1402000     1.518000  
1 1 1 24 11 8  o 6.3500  0.4714 -0.9126000     0.9427000 
1 1 1 24 11 9  f 2.8140  0.7487 -0.1963000     1.497000  
1 1 1 24 11 10 o 5.3480  0.6557 -0.9534000     1.311000  
1 1 1 24 11 11 o 5.5790  0.6237 0.2050000      1.247000  
1 1 1 24 11 12 o 4.0930  0.8568 3.376000       1.714000  
1 1 1 24 11 13 o 7.3040  0.4231 1.351000       0.8461000 
1 1 1 24 11 14 o 6.2600  0.7463 4.037000       1.493000  
1 1 1 24 11 15 o 4.1890  0.8518 ?              ?         
1 1 1 24 11 16 f 6.1560  0.6422 -2.112000      1.284000  
1 1 1 24 11 17 o 12.920  0.2356 0.7635000      0.4711000 
1 1 1 24 11 18 o 4.8660  0.5070 -0.2978000     1.014000  
1 1 1 24 11 19 o 7.9360  0.3540 -0.7094000     0.7080000 
1 1 1 24 11 20 o 18.530  0.1835 0.6680000      0.3671000 
1 1 1 24 11 21 o 9.0750  0.2997 0.1030000      0.5994000 
1 1 1 24 11 22 o 10.950  0.2432 0.6199000      0.4865000 
1 1 1 24 11 23 o 8.3400  0.3199 -0.6325000     0.6398000 
1 1 1 24 11 24 o 17.120  0.1843 0.3263000      0.3686000 
1 1 1 24 11 25 o 5.0230  0.5107 -0.5757000E-01 1.021000  
1 1 1 24 11 26 o 12.550  0.2310 0.3091000      0.4621000 
1 1 1 24 11 27 o 5.2290  0.4584 1.007000       0.9168000 
1 1 1 24 11 28 o 5.2390  0.4511 1.077000       0.9022000 
1 1 1 24 11 29 o 4.5670  0.5146 0.7713000      1.029000  
1 1 1 24 11 30 o 2.5670  0.6420 -0.9733000     1.284000  
1 1 1 24 11 31 o 4.3630  0.6302 0.3758000      1.260000  
1 1 1 24 11 32 o 6.3410  0.3613 -0.3034000     0.7227000 
1 1 1 24 11 33 o 3.2490  0.6399 0.5476000      1.280000  
1 1 1 24 11 34 o 2.2890  0.6122 -1.226000      1.224000  
1 1 1 24 11 35 o 3.4880  0.5815 -2.598000      1.163000  
1 1 1 24 11 36 o 10.780  0.2823 0.6663000      0.5646000 
1 1 1 24 11 37 o 2.8700  0.7152 0.3883000      1.430000  
1 1 1 24 11 38 o 7.3870  0.4104 1.279000       0.8207000 
1 1 1 24 11 39 o 2.1540  0.6440 -0.3100000     1.288000  
1 1 1 24 11 40 o 7.4660  0.3283 0.6599000      0.6566000 
1 1 1 24 11 41 o 1.5750  0.5264 -0.6321000     1.053000  
1 1 1 24 11 42 o 4.3350  0.4614 0.3918000      0.9228000 
1 1 1 24 11 43 o 6.8200  0.2938 -0.1826000     0.5876000 
1 1 1 24 11 44 o 3.9140  0.5318 0.7822000      1.064000  
1 1 1 24 11 45 o 3.7900  0.5271 0.6329000      1.054000  
1 1 1 24 11 46 o 2.5810  0.5825 -1.848000      1.165000  
1 1 1 24 11 47 o 1.7990  0.5393 -0.3557000     1.079000  
1 1 1 24 11 48 o 5.3180  0.4596 -0.8566000     0.9191000 
1 1 1 24 11 49 o 3.0520  0.6835 -0.8460000     1.367000  
1 1 1 24 11 50 o 1.9850  0.6070 -0.3495000E-01 1.214000  
1 1 1 24 11 51 o 3.2490  0.5450 2.683000       1.090000  
1 1 1 24 11 52 o 4.3480  0.5513 1.080000       1.103000  
1 1 1 24 11 53 o 4.5740  0.5664 -0.4795000     1.133000  
1 1 1 24 12 0  o 14.150  0.3279 0.000000       0.000000  
1 1 1 24 12 1  o 9.3820  0.2673 0.1775000      0.5345000 
1 1 1 24 12 2  o 11.180  0.2351 0.2313000E-02  0.4702000 
1 1 1 24 12 3  o 6.3230  0.4343 -0.9681000     0.8686000 
1 1 1 24 12 4  o 5.0140  0.5407 -0.1955000E-01 1.081000  
1 1 1 24 12 5  o 8.0910  0.3357 -0.3024000     0.6713000 
1 1 1 24 12 6  o 6.5070  0.4161 -1.136000      0.8321000 
1 1 1 24 12 7  o 8.9930  0.3096 1.034000       0.6192000 
1 1 1 24 12 8  o 5.7600  0.5668 -1.183000      1.134000  
1 1 1 24 12 9  o 2.3510  0.6659 -0.8886000     1.332000  
1 1 1 24 12 10 o 9.7990  0.3319 0.6133000      0.6638000 
1 1 1 24 12 11 o 3.2650  0.8878 0.9164000      1.776000  
1 1 1 24 12 12 o 4.7540  0.8300 -0.9200000     1.660000  
1 1 1 24 12 13 o 2.3170  0.7113 -0.2568000     1.423000  
1 1 1 24 12 14 o 8.7810  0.4161 ?              ?         
1 1 1 24 12 15 o 2.9880  0.8468 -1.548000      1.694000  
1 1 1 24 12 16 o 5.2880  0.7302 -0.5566000     1.460000  
1 1 1 24 12 17 o 1.6440  0.5509 0.1053000      1.102000  
1 1 1 24 12 18 o 1.9860  0.5976 0.9298000      1.195000  
1 1 1 24 12 19 o 4.2200  0.5988 -0.5166000     1.198000  
1 1 1 24 12 20 o 8.8410  0.2796 0.4145000      0.5593000 
1 1 1 24 12 21 o 10.090  0.2778 0.9297000E-01  0.5557000 
1 1 1 24 12 22 o 2.9970  0.6716 -1.124000      1.343000  
1 1 1 24 12 23 o 9.5700  0.2729 -0.3899000     0.5458000 
1 1 1 24 12 24 o 8.6050  0.3049 0.5053000      0.6098000 
1 1 1 24 12 25 o 10.180  0.2432 0.3458000      0.4864000 
1 1 1 24 12 26 f 6.1430  0.4346 1.597000       0.8691000 
1 1 1 24 12 27 o 7.2510  0.3229 -0.8848000     0.6458000 
1 1 1 24 12 28 o 6.8090  0.3708 -0.2055000     0.7416000 
1 1 1 24 12 29 o 6.1750  0.4733 -1.306000      0.9466000 
1 1 1 24 12 30 o 3.7330  0.5915 -0.9073000     1.183000  
1 1 1 24 12 31 o 4.7820  0.4693 0.3955000E-01  0.9386000 
1 1 1 24 12 32 o 4.3280  0.5323 0.7288000      1.065000  
1 1 1 24 12 33 o 10.390  0.2443 0.5507000      0.4886000 
1 1 1 24 12 34 o 4.6040  0.5108 0.6434000      1.022000  
1 1 1 24 12 35 o 3.2890  0.7365 0.6702000E-01  1.473000  
1 1 1 24 12 36 o 2.3890  0.6733 0.9282000      1.347000  
1 1 1 24 12 37 o 3.9800  0.5661 2.946000       1.132000  
1 1 1 24 12 38 o 4.2170  0.6923 0.7282000      1.385000  
1 1 1 24 12 39 o 5.9210  0.4266 -0.4874000E-01 0.8532000 
1 1 1 24 12 40 o 2.7710  0.6454 -1.403000      1.291000  
1 1 1 24 12 41 o 5.8460  0.3919 1.085000       0.7837000 
1 1 1 24 12 42 o 2.2550  0.5733 -1.941000      1.147000  
1 1 1 24 12 43 o 1.5540  0.4989 -0.5079000     0.9978000 
1 1 1 24 12 44 o 2.0570  0.6090 0.3169000      1.218000  
1 1 1 24 12 45 o 3.7000  0.5848 -0.1872000     1.170000  
1 1 1 24 12 46 o 3.8510  0.5695 0.9206000      1.139000  
1 1 1 24 12 47 o 3.7180  0.5913 -0.1731000     1.183000  
1 1 1 24 12 48 o 1.8710  0.5643 -1.180000      1.129000  
1 1 1 24 12 49 o 6.4420  0.4468 1.366000       0.8935000 
1 1 1 24 12 50 o 2.4640  0.6417 -1.406000      1.283000  
1 1 1 24 12 51 f 1.7920  0.5883 -0.3177000     1.177000  
1 1 1 24 12 52 f 4.5290  0.6519 0.3047000      1.304000  
1 1 1 24 12 53 o 2.5350  0.7225 0.3833000      1.445000  
1 1 1 24 13 0  o 1.2110  0.8304 0.000000       0.000000  
1 1 1 24 13 1  o 9.4300  0.2776 0.3981000      0.5553000 
1 1 1 24 13 2  o 7.7300  0.3294 0.1802000      0.6588000 
1 1 1 24 13 3  o 12.760  0.2214 0.6478000      0.4428000 
1 1 1 24 13 4  o 13.600  0.2109 0.1532000      0.4218000 
1 1 1 24 13 5  o 5.7870  0.4920 1.226000       0.9840000 
1 1 1 24 13 6  o 8.0470  0.3092 -0.5588000     0.6184000 
1 1 1 24 13 7  o 7.5990  0.3278 0.1328000      0.6555000 
1 1 1 24 13 8  o 13.580  0.2094 -0.1073000     0.4189000 
1 1 1 24 13 9  o 2.9170  0.6099 2.280000       1.220000  
1 1 1 24 13 10 o 4.2220  0.7124 1.334000       1.425000  
1 1 1 24 13 11 o 6.4800  0.4942 -0.7150000     0.9884000 
1 1 1 24 13 12 o 6.5180  0.4753 0.3083000      0.9507000 
1 1 1 24 13 13 o 9.3610  0.3276 1.535000       0.6551000 
1 1 1 24 13 14 o 7.5980  0.3980 ?              ?         
1 1 1 24 13 15 f 4.3470  0.7762 0.2618000      1.552000  
1 1 1 24 13 16 o 2.7930  0.6825 -0.3009000     1.365000  
1 1 1 24 13 17 o 3.8410  0.6641 -0.7091000     1.328000  
1 1 1 24 13 18 o 11.810  0.2256 0.8414000      0.4512000 
1 1 1 24 13 19 o 2.9500  0.6415 0.7116000      1.283000  
1 1 1 24 13 20 o 3.4510  0.6240 -0.9198000     1.248000  
1 1 1 24 13 21 o 6.7600  0.3350 0.2992000      0.6700000 
1 1 1 24 13 22 o 2.2510  0.6403 0.8866000E-01  1.281000  
1 1 1 24 13 23 o 4.5020  0.4667 0.1478000      0.9334000 
1 1 1 24 13 24 o 7.8520  0.2920 -0.6399000     0.5840000 
1 1 1 24 13 25 o 8.4270  0.2811 0.9114000E-01  0.5623000 
1 1 1 24 13 26 o 3.1370  0.6430 -0.9022000E-01 1.286000  
1 1 1 24 13 27 o 3.8330  0.5241 -0.8909000     1.048000  
1 1 1 24 13 28 o 2.6760  0.6776 0.3362000E-01  1.355000  
1 1 1 24 13 29 o 10.270  0.2471 0.7559000      0.4942000 
1 1 1 24 13 30 o 2.8890  0.6391 -0.6870000E-01 1.278000  
1 1 1 24 13 31 o 9.7020  0.2703 0.6481000      0.5406000 
1 1 1 24 13 32 o 5.3440  0.4578 0.2686000      0.9156000 
1 1 1 24 13 33 o 5.3290  0.4054 0.8157000      0.8108000 
1 1 1 24 13 34 o 5.6050  0.5744 1.394000       1.149000  
1 1 1 24 13 35 o 1.7080  0.5396 0.1369000      1.079000  
1 1 1 24 13 36 o 4.8360  0.5000 0.8377000      1.000000  
1 1 1 24 13 37 o 9.1110  0.3061 -0.1580000     0.6121000 
1 1 1 24 13 38 o 2.7190  0.6335 -0.5593000     1.267000  
1 1 1 24 13 39 o 7.9650  0.2825 0.1053000      0.5650000 
1 1 1 24 13 40 o 1.6160  0.5044 0.5496000E-01  1.009000  
1 1 1 24 13 41 o 4.5860  0.3710 -1.852000      0.7420000 
1 1 1 24 13 42 o 2.4090  0.7137 0.1989000      1.427000  
1 1 1 24 13 43 o 7.0150  0.5040 -1.126000      1.008000  
1 1 1 24 13 44 o 5.8020  0.5017 0.5606000      1.003000  
1 1 1 24 13 45 o 5.2050  0.5572 0.8288000      1.114000  
1 1 1 24 13 46 o 4.1430  0.6683 1.472000       1.337000  
1 1 1 24 13 47 o 2.1520  0.6607 -0.6070000E-03 1.321000  
1 1 1 24 13 48 o 1.7750  0.5622 -0.4267000     1.124000  
1 1 1 24 13 49 o 2.4840  0.6311 -1.011000      1.262000  
1 1 1 24 13 50 o 4.1630  0.5360 -0.6994000     1.072000  
1 1 1 24 13 51 o 1.3520  0.4685 -0.1927000     0.9371000 
1 1 1 24 13 52 o 3.3210  0.6202 -1.351000      1.240000  
1 1 1 24 14 0  o 1.5900  1.0020 0.000000       0.000000  
1 1 1 24 14 1  o 13.320  0.2090 0.2936000      0.4180000 
1 1 1 24 14 2  o 5.1950  0.4717 0.8227000      0.9435000 
1 1 1 24 14 3  o 8.0470  0.3065 0.4084000E-02  0.6129000 
1 1 1 24 14 4  o 15.690  0.1924 0.7885000      0.3849000 
1 1 1 24 14 5  o 3.3620  0.6344 1.270000       1.269000  
1 1 1 24 14 6  o 7.2990  0.3346 0.8078000      0.6692000 
1 1 1 24 14 7  o 8.9580  0.2771 0.2406000      0.5542000 
1 1 1 24 14 8  o 4.0480  0.5915 0.3114000      1.183000  
1 1 1 24 14 9  o 11.890  0.2292 0.4390000      0.4584000 
1 1 1 24 14 10 o 3.6030  0.9004 1.649000       1.801000  
1 1 1 24 14 11 o 3.7750  0.8914 0.4341000      1.783000  
1 1 1 24 14 12 o 5.7730  0.5068 0.8583000      1.014000  
1 1 1 24 14 13 o 2.6540  0.7459 -1.203000      1.492000  
1 1 1 24 14 14 o 6.1060  0.6971 1.868000       1.394000  
1 1 1 24 14 15 o 2.2810  0.6780 -0.3848000     1.356000  
1 1 1 24 14 16 o 5.8140  0.4467 1.473000       0.8933000 
1 1 1 24 14 17 o 8.3280  0.2912 0.4234000      0.5824000 
1 1 1 24 14 18 o 4.0450  0.5726 0.6243000      1.145000  
1 1 1 24 14 19 o 4.6910  0.4895 -0.2642000E-01 0.9791000 
1 1 1 24 14 20 o 5.2030  0.4356 0.2437000E-01  0.8712000 
1 1 1 24 14 21 o 10.270  0.2385 0.5183000      0.4770000 
1 1 1 24 14 22 o 7.4540  0.3077 1.054000       0.6153000 
1 1 1 24 14 23 o 1.6080  0.5294 -0.3429000     1.059000  
1 1 1 24 14 24 o 10.330  0.2441 0.6079000      0.4881000 
1 1 1 24 14 25 o 1.8980  0.5863 -0.6159000     1.173000  
1 1 1 24 14 26 o 4.2550  0.5333 0.7776000      1.067000  
1 1 1 24 14 27 o 2.0520  0.5925 -0.2701000     1.185000  
1 1 1 24 14 28 o 2.6190  0.5132 1.821000       1.026000  
1 1 1 24 14 29 o 6.2640  0.3455 1.008000       0.6911000 
1 1 1 24 14 30 o 8.0010  0.2759 0.5847000      0.5519000 
1 1 1 24 14 31 o 4.1480  0.5429 0.7346000E-01  1.086000  
1 1 1 24 14 32 o 5.0660  0.4449 -1.350000      0.8897000 
1 1 1 24 14 33 o 7.9890  0.4016 1.447000       0.8033000 
1 1 1 24 14 34 o 2.7820  0.6169 0.6496000      1.234000  
1 1 1 24 14 35 o 11.410  0.2794 1.281000       0.5587000 
1 1 1 24 14 36 o 3.1130  0.6361 0.2169000      1.272000  
1 1 1 24 14 37 o 7.3400  0.3078 -0.6018000     0.6155000 
1 1 1 24 14 38 o 3.6670  0.5649 1.320000       1.130000  
1 1 1 24 14 39 o 2.0870  0.6349 1.341000       1.270000  
1 1 1 24 14 40 o 5.7950  0.3546 0.8276000      0.7092000 
1 1 1 24 14 41 o 2.2550  0.6976 0.2817000      1.395000  
1 1 1 24 14 42 o 4.9830  0.4482 -0.3267000     0.8964000 
1 1 1 24 14 43 o 3.8020  0.5731 0.5724000      1.146000  
1 1 1 24 14 44 o 3.9400  0.5548 0.8433000      1.110000  
1 1 1 24 14 45 o 5.2440  0.4245 0.6472000      0.8491000 
1 1 1 24 14 46 o 4.4160  0.5007 0.4586000      1.001000  
1 1 1 24 14 47 o 2.0410  0.6007 -0.5670000     1.201000  
1 1 1 24 14 48 o 4.2110  0.5152 0.1174000      1.030000  
1 1 1 24 14 49 o 2.0510  0.5964 -0.8343000     1.193000  
1 1 1 24 14 50 o 2.0880  0.5806 0.6975000      1.161000  
1 1 1 24 14 51 o 2.4250  0.6031 0.7854000      1.206000  
1 1 1 24 15 0  o 1.2460  0.8490 0.000000       0.000000  
1 1 1 24 15 1  o 3.8890  0.6138 -1.072000      1.228000  
1 1 1 24 15 2  o 9.7090  0.2662 -0.1168000     0.5323000 
1 1 1 24 15 3  o 7.0600  0.3368 -0.8880000     0.6735000 
1 1 1 24 15 4  o 2.4610  0.6498 -0.9542000     1.300000  
1 1 1 24 15 5  o 5.4610  0.4323 -0.4546000     0.8646000 
1 1 1 24 15 6  o 9.1040  0.2685 0.1093000      0.5371000 
1 1 1 24 15 7  o 4.0160  0.5842 0.3793000      1.168000  
1 1 1 24 15 8  o 11.950  0.2201 -0.4826000     0.4403000 
1 1 1 24 15 9  o 6.0450  0.4177 0.5716000E-01  0.8354000 
1 1 1 24 15 10 o 4.5750  0.6421 1.067000       1.284000  
1 1 1 24 15 11 o 8.5140  0.3977 -0.9424000E-02 0.7955000 
1 1 1 24 15 12 o 6.9910  0.4765 0.8667000E-01  0.9531000 
1 1 1 24 15 13 f 2.3770  0.6422 0.7341000      1.284000  
1 1 1 24 15 14 o 8.1660  0.3584 -0.2352000     0.7169000 
1 1 1 24 15 15 o 2.6720  0.7107 -0.5880000     1.421000  
1 1 1 24 15 16 o 4.3350  0.6285 1.508000       1.257000  
1 1 1 24 15 17 o 6.8940  0.3356 0.3293000E-01  0.6711000 
1 1 1 24 15 18 o 6.9560  0.3243 -0.4414000     0.6486000 
1 1 1 24 15 19 o 8.4460  0.2754 -1.014000      0.5507000 
1 1 1 24 15 20 o 10.080  0.2409 0.3526000      0.4818000 
1 1 1 24 15 21 o 6.0870  0.3664 0.2178000      0.7327000 
1 1 1 24 15 22 o 5.5880  0.3913 -0.5670000E-02 0.7826000 
1 1 1 24 15 23 o 5.2520  0.4284 0.8519000      0.8568000 
1 1 1 24 15 24 o 10.070  0.2980 -0.4947000     0.5960000 
1 1 1 24 15 25 o 4.1210  0.5228 -0.5286000     1.046000  
1 1 1 24 15 26 o 5.3480  0.4505 -0.1853000     0.9011000 
1 1 1 24 15 27 o 1.6600  0.5408 -0.5239000     1.082000  
1 1 1 24 15 28 o 2.2820  0.6123 -1.509000      1.225000  
1 1 1 24 15 29 o 4.5560  0.4292 1.304000       0.8584000 
1 1 1 24 15 30 o 5.6130  0.3926 -0.5446000     0.7851000 
1 1 1 24 15 31 o 3.3590  0.6465 0.5837000      1.293000  
1 1 1 24 15 32 o 3.4690  0.6262 -0.5273000     1.252000  
1 1 1 24 15 33 o 1.9790  0.5671 0.4783000      1.134000  
1 1 1 24 15 34 o 1.9040  0.5946 -0.4131000     1.189000  
1 1 1 24 15 35 o 5.3090  0.6011 2.589000       1.202000  
1 1 1 24 15 36 o 1.5830  0.5333 -1.251000      1.067000  
1 1 1 24 15 37 o 3.1920  0.6021 -1.578000      1.204000  
1 1 1 24 15 38 o 2.0720  0.6464 0.1340000      1.293000  
1 1 1 24 15 39 o 5.7770  0.5818 0.9573000E-01  1.164000  
1 1 1 24 15 40 o 2.8350  0.6045 1.097000       1.209000  
1 1 1 24 15 41 o 3.4290  0.6036 -0.3330000E-01 1.207000  
1 1 1 24 15 42 o 3.4570  0.5843 0.7216000      1.169000  
1 1 1 24 15 43 o 2.5220  0.6195 -1.156000      1.239000  
1 1 1 24 15 44 o 3.6240  0.5709 0.3338000      1.142000  
1 1 1 24 15 45 f 7.6830  0.2917 0.6102000      0.5834000 
1 1 1 24 15 46 o 3.5990  0.5747 0.5151000      1.149000  
1 1 1 24 15 47 o 4.6020  0.4902 0.9728000      0.9803000 
1 1 1 24 15 48 o 1.4660  0.4888 0.4699000E-01  0.9776000 
1 1 1 24 15 49 o 2.9020  0.6163 0.6237000      1.233000  
1 1 1 24 15 50 o 5.8370  0.3791 0.6889000      0.7581000 
1 1 1 24 16 0  o 4.5430  0.7975 0.000000       0.000000  
1 1 1 24 16 1  f 3.4010  0.6066 2.002000       1.213000  
1 1 1 24 16 2  o 5.5030  0.4332 0.2839000      0.8664000 
1 1 1 24 16 3  o 9.3770  0.2707 0.6626000      0.5413000 
1 1 1 24 16 4  o 2.2670  0.6014 -1.463000      1.203000  
1 1 1 24 16 5  o 3.6230  0.6165 0.2386000      1.233000  
1 1 1 24 16 6  o 5.1010  0.4997 2.440000       0.9995000 
1 1 1 24 16 7  o 3.3460  0.6337 -0.8669000     1.267000  
1 1 1 24 16 8  o 5.9890  0.4151 -0.9081000     0.8302000 
1 1 1 24 16 9  o 2.9340  0.6247 1.870000       1.249000  
1 1 1 24 16 10 o 2.0310  0.5858 1.118000       1.172000  
1 1 1 24 16 11 o 5.8600  0.6227 1.024000       1.245000  
1 1 1 24 16 12 o 4.0860  0.7068 2.224000       1.414000  
1 1 1 24 16 13 o 2.3550  0.6435 -0.8823000     1.287000  
1 1 1 24 16 14 o 5.4900  0.5519 1.439000       1.104000  
1 1 1 24 16 15 o 5.0990  0.5701 1.103000       1.140000  
1 1 1 24 16 16 o 7.2980  0.3656 -1.041000      0.7312000 
1 1 1 24 16 17 o 5.4790  0.4098 0.3346000      0.8196000 
1 1 1 24 16 18 o 5.6320  0.3845 -0.4911000     0.7691000 
1 1 1 24 16 19 o 4.1620  0.5223 -0.9764000     1.045000  
1 1 1 24 16 20 o 7.4250  0.3076 0.9255000      0.6152000 
1 1 1 24 16 21 f 4.8410  0.4540 0.1467000      0.9081000 
1 1 1 24 16 22 o 7.4350  0.3280 -0.8229000     0.6559000 
1 1 1 24 16 23 o 1.7450  0.5595 0.1264000      1.119000  
1 1 1 24 16 24 o 2.9640  0.6083 0.1183000      1.217000  
1 1 1 24 16 25 o 2.6630  0.6111 0.1705000      1.222000  
1 1 1 24 16 26 o 6.6410  0.3192 1.825000       0.6383000 
1 1 1 24 16 27 o 6.0590  0.3368 0.1491000      0.6737000 
1 1 1 24 16 28 o 1.6750  0.5153 0.3968000      1.031000  
1 1 1 24 16 29 o 1.9830  0.6158 -1.125000      1.232000  
1 1 1 24 16 30 o 4.9310  0.3832 -1.461000      0.7664000 
1 1 1 24 16 31 o 9.8270  0.3548 0.4465000      0.7096000 
1 1 1 24 16 32 o 2.3350  0.6823 -0.8771000     1.365000  
1 1 1 24 16 33 o 5.8460  0.4779 0.2904000      0.9557000 
1 1 1 24 16 34 o 3.6310  0.6294 -0.3469000     1.259000  
1 1 1 24 16 35 o 1.9770  0.5988 -0.3971000     1.198000  
1 1 1 24 16 36 o 1.7140  0.5173 0.3928000      1.035000  
1 1 1 24 16 37 o 3.3250  0.5344 1.091000       1.069000  
1 1 1 24 16 38 o 6.0490  0.3622 -0.1837000     0.7244000 
1 1 1 24 16 39 o 4.2740  0.5238 0.1437000      1.048000  
1 1 1 24 16 40 o 4.2250  0.5248 0.7226000E-01  1.050000  
1 1 1 24 16 41 o 2.8120  0.6053 0.8903000      1.211000  
1 1 1 24 16 42 o 3.0770  0.5882 1.032000       1.176000  
1 1 1 24 16 43 o 1.8950  0.5779 -0.6785000     1.156000  
1 1 1 24 16 44 o 3.5960  0.5673 0.3905000      1.135000  
1 1 1 24 16 45 o 1.9090  0.5745 -0.3899000E-01 1.149000  
1 1 1 24 16 46 o 2.6570  0.6216 0.4320000E-02  1.243000  
1 1 1 24 16 47 o 5.9580  0.3616 0.5310000      0.7231000 
1 1 1 24 16 48 o 4.9150  0.4509 0.7133000      0.9018000 
1 1 1 24 16 49 o 3.4390  0.5720 -0.9510000     1.144000  
1 1 1 24 17 0  o 22.990  0.2534 0.000000       0.000000  
1 1 1 24 17 1  o 7.3310  0.3442 -1.355000      0.6885000 
1 1 1 24 17 2  f 7.7900  0.3145 -0.3172000     0.6291000 
1 1 1 24 17 3  o 3.6310  0.5973 2.021000       1.195000  
1 1 1 24 17 4  o 6.0540  0.3883 0.5133000E-01  0.7765000 
1 1 1 24 17 5  o 1.6620  0.5374 -1.006000      1.075000  
1 1 1 24 17 6  o 5.9380  0.3832 -0.1940000E-01 0.7664000 
1 1 1 24 17 7  o 7.8380  0.3208 -0.1310000     0.6416000 
1 1 1 24 17 8  o 7.7650  0.3205 0.1596000      0.6411000 
1 1 1 24 17 9  o 3.1390  0.6914 0.7482000      1.383000  
1 1 1 24 17 10 o 5.0830  0.5546 -1.193000      1.109000  
1 1 1 24 17 11 o 3.5930  0.6404 -1.831000      1.281000  
1 1 1 24 17 12 o 2.9770  0.7435 1.037000       1.487000  
1 1 1 24 17 13 o 4.1310  0.6849 0.3348000E-01  1.370000  
1 1 1 24 17 14 f 1.6890  0.5511 -0.3718000     1.102000  
1 1 1 24 17 15 o 6.8640  0.4016 -0.1750000     0.8031000 
1 1 1 24 17 16 o 4.5860  0.6125 1.307000       1.225000  
1 1 1 24 17 17 o 6.1400  0.3693 0.5170000      0.7387000 
1 1 1 24 17 18 o 2.6930  0.6480 -0.3263000     1.296000  
1 1 1 24 17 19 o 2.5950  0.6443 0.3137000E-01  1.289000  
1 1 1 24 17 20 o 7.9230  0.2856 -0.7893000     0.5711000 
1 1 1 24 17 21 o 3.1520  0.7115 -0.7989000     1.423000  
1 1 1 24 17 22 o 11.470  0.2061 -0.1509000     0.4122000 
1 1 1 24 17 23 o 11.090  0.2812 -1.020000      0.5623000 
1 1 1 24 17 24 o 5.0910  0.4043 0.4410000      0.8086000 
1 1 1 24 17 25 o 4.7070  0.4279 -1.069000      0.8557000 
1 1 1 24 17 26 o 9.7960  0.2192 0.1949000      0.4384000 
1 1 1 24 17 27 o 5.4850  0.3496 -0.7091000     0.6991000 
1 1 1 24 17 28 o 4.6850  0.4409 0.8321000      0.8817000 
1 1 1 24 17 29 o 13.160  0.1892 0.3493000      0.3785000 
1 1 1 24 17 30 o 3.2230  0.6629 -1.418000      1.326000  
1 1 1 24 17 31 o 6.8760  0.3554 -1.042000      0.7107000 
1 1 1 24 17 32 o 1.8590  0.5609 0.5381000      1.122000  
1 1 1 24 17 33 o 1.6250  0.5500 -0.7390000     1.100000  
1 1 1 24 17 34 o 3.1700  0.6052 -0.2080000     1.210000  
1 1 1 24 17 35 o 4.2590  0.4578 -0.9051000     0.9157000 
1 1 1 24 17 36 o 2.8280  0.4852 2.286000       0.9703000 
1 1 1 24 17 37 o 3.1960  0.5396 0.5178000      1.079000  
1 1 1 24 17 38 o 2.7280  0.6423 -0.7012000     1.285000  
1 1 1 24 17 39 o 4.5940  0.5071 1.322000       1.014000  
1 1 1 24 17 40 o 4.0400  0.5407 1.806000       1.081000  
1 1 1 24 17 41 f 2.6780  0.6309 -0.5334000     1.262000  
1 1 1 24 17 42 o 2.2890  0.6159 -0.2911000     1.232000  
1 1 1 24 17 43 o 1.7640  0.5536 -0.3104000     1.107000  
1 1 1 24 17 44 o 2.0310  0.5921 -0.7696000     1.184000  
1 1 1 24 17 45 o 2.5080  0.5973 -1.654000      1.195000  
1 1 1 24 17 46 o 1.8450  0.5613 -0.3140000E-01 1.123000  
1 1 1 24 17 47 o 1.9280  0.5766 -0.3529000     1.153000  
1 1 1 24 18 0  o 4.1170  0.8750 0.000000       0.000000  
1 1 1 24 18 1  o 2.4410  0.6286 -1.139000      1.257000  
1 1 1 24 18 2  o 5.1370  0.4513 0.5175000      0.9027000 
1 1 1 24 18 3  o 6.5570  0.3548 -0.1318000E-01 0.7095000 
1 1 1 24 18 4  o 6.1760  0.3768 -0.5149000     0.7535000 
1 1 1 24 18 5  o 2.9590  0.6685 -0.3501000     1.337000  
1 1 1 24 18 6  o 5.3390  0.4940 -0.7066000     0.9880000 
1 1 1 24 18 7  o 6.8600  0.3609 0.1004000      0.7217000 
1 1 1 24 18 8  o 6.6860  0.4091 -2.153000      0.8182000 
1 1 1 24 18 9  o 5.4740  0.5165 -0.8094000     1.033000  
1 1 1 24 18 10 o 3.4090  0.6553 -0.8085000     1.311000  
1 1 1 24 18 11 o 3.1310  0.6351 0.5333000      1.270000  
1 1 1 24 18 12 o 4.2490  0.5735 1.438000       1.147000  
1 1 1 24 18 13 o 5.3250  0.5307 0.6560000      1.061000  
1 1 1 24 18 14 o 6.1380  0.3979 -0.9410000E-01 0.7959000 
1 1 1 24 18 15 o 8.2960  0.3396 1.053000       0.6793000 
1 1 1 24 18 16 o 2.3910  0.6746 -0.8765000     1.349000  
1 1 1 24 18 17 o 6.3520  0.4017 -1.258000      0.8035000 
1 1 1 24 18 18 o 5.8560  0.3676 0.9747000E-02  0.7352000 
1 1 1 24 18 19 o 5.2320  0.4107 -0.5036000     0.8214000 
1 1 1 24 18 20 o 6.3060  0.5379 ?              ?         
1 1 1 24 18 21 o 4.4450  0.5233 0.8078000E-01  1.047000  
1 1 1 24 18 22 o 3.7750  0.5398 0.4323000      1.080000  
1 1 1 24 18 23 o 2.9980  0.5979 0.1710000      1.196000  
1 1 1 24 18 24 o 4.2660  0.4736 0.6122000      0.9473000 
1 1 1 24 18 25 o 7.4760  0.2724 0.6147000      0.5448000 
1 1 1 24 18 26 o 4.5710  0.4154 -0.4378000     0.8308000 
1 1 1 24 18 27 o 3.6350  0.5207 0.3102000      1.041000  
1 1 1 24 18 28 o 4.8640  0.4100 0.7140000      0.8200000 
1 1 1 24 18 29 f 4.3010  0.5367 2.407000       1.073000  
1 1 1 24 18 30 o 3.2420  0.5764 1.153000       1.153000  
1 1 1 24 18 31 o 9.3430  0.2416 0.4430000E-01  0.4832000 
1 1 1 24 18 32 o 2.0000  0.6055 -1.340000      1.211000  
1 1 1 24 18 33 o 4.5800  0.3884 -0.3301000     0.7768000 
1 1 1 24 18 34 o 1.8750  0.5854 -0.2913000     1.171000  
1 1 1 24 18 35 o 4.4820  0.5200 -0.1276000     1.040000  
1 1 1 24 18 36 o 8.2530  0.3012 0.2737000E-01  0.6023000 
1 1 1 24 18 37 o 2.2430  0.6095 -1.534000      1.219000  
1 1 1 24 18 38 o 2.5150  0.6317 -0.7168000     1.263000  
1 1 1 24 18 39 o 1.9010  0.5796 -0.2671000     1.159000  
1 1 1 24 18 40 o 1.5510  0.5129 -0.2065000     1.026000  
1 1 1 24 18 41 o 4.5820  0.4882 1.412000       0.9764000 
1 1 1 24 18 42 o 2.0500  0.5863 0.6946000E-01  1.173000  
1 1 1 24 18 43 o 3.4090  0.5324 2.112000       1.065000  
1 1 1 24 18 44 o 2.7330  0.6237 -0.2545000     1.247000  
1 1 1 24 18 45 f 7.2100  0.3276 1.423000       0.6552000 
1 1 1 24 18 46 o 2.4810  0.6849 -1.014000      1.370000  
1 1 1 24 19 0  o 6.9610  0.4812 0.000000       0.000000  
1 1 1 24 19 1  o 6.0820  0.4082 2.467000       0.8163000 
1 1 1 24 19 2  o 2.1130  0.6210 -0.1296000     1.242000  
1 1 1 24 19 3  o 5.3220  0.4274 -0.3683000     0.8548000 
1 1 1 24 19 4  o 5.8010  0.3985 -0.2495000     0.7969000 
1 1 1 24 19 5  f 3.1710  0.6611 0.2378000      1.322000  
1 1 1 24 19 6  o 5.4990  0.4723 -0.2332000     0.9446000 
1 1 1 24 19 7  o 5.7440  0.4876 0.9240000E-01  0.9751000 
1 1 1 24 19 8  o 2.9940  0.7267 -1.800000      1.453000  
1 1 1 24 19 9  o 3.0450  0.6245 1.370000       1.249000  
1 1 1 24 19 10 o 9.1680  0.2579 0.2565000      0.5158000 
1 1 1 24 19 11 o 4.1460  0.5328 0.7017000      1.066000  
1 1 1 24 19 12 o 2.3600  0.6202 0.5048000      1.240000  
1 1 1 24 19 13 o 4.8620  0.4819 0.4453000      0.9637000 
1 1 1 24 19 14 o 3.6210  0.6787 1.565000       1.357000  
1 1 1 24 19 15 o 6.4090  0.3695 -0.5092000E-01 0.7389000 
1 1 1 24 19 16 o 6.0490  0.4334 0.2530000E-01  0.8667000 
1 1 1 24 19 17 o 9.8800  0.2930 -0.4733000E-02 0.5860000 
1 1 1 24 19 18 o 5.9440  0.4774 0.1771000      0.9549000 
1 1 1 24 19 19 o 2.0370  0.6017 -0.4209000     1.203000  
1 1 1 24 19 20 o 2.3000  0.6421 -0.3704000     1.284000  
1 1 1 24 19 21 o 3.2850  0.5687 1.413000       1.137000  
1 1 1 24 19 22 o 6.9660  0.2927 0.8974000      0.5855000 
1 1 1 24 19 23 o 2.4400  0.6067 -0.7743000     1.213000  
1 1 1 24 19 24 f 3.2950  0.5341 1.763000       1.068000  
1 1 1 24 19 25 o 3.0700  0.5625 -1.441000      1.125000  
1 1 1 24 19 26 f 2.9090  0.5877 -0.4692000     1.175000  
1 1 1 24 19 27 o 2.1340  0.5850 0.6065000      1.170000  
1 1 1 24 19 28 o 2.1000  0.5896 0.2811000      1.179000  
1 1 1 24 19 29 o 3.2610  0.5499 1.483000       1.100000  
1 1 1 24 19 30 o 3.9260  0.5019 0.5645000E-01  1.004000  
1 1 1 24 19 31 o 3.8520  0.5213 0.1721000      1.043000  
1 1 1 24 19 32 o 5.0340  0.4616 -0.1275000     0.9231000 
1 1 1 24 19 33 o 3.3410  0.6578 0.3960000      1.316000  
1 1 1 24 19 34 o 5.3000  0.4026 -1.732000      0.8053000 
1 1 1 24 19 35 o 6.0350  0.4111 0.3658000      0.8221000 
1 1 1 24 19 36 o 1.7730  0.5631 -0.6525000     1.126000  
1 1 1 24 19 37 o 1.6850  0.5444 -0.5284000     1.089000  
1 1 1 24 19 38 o 6.1000  0.3848 0.6911000      0.7697000 
1 1 1 24 19 39 o 2.8450  0.6724 -0.4141000     1.345000  
1 1 1 24 19 40 o 1.8650  0.5916 -0.7598000     1.183000  
1 1 1 24 19 41 o 2.1360  0.6220 0.2011000      1.244000  
1 1 1 24 19 42 o 2.0790  0.6572 0.8387000      1.314000  
1 1 1 24 19 43 o 7.2390  0.4427 -0.7361000     0.8854000 
1 1 1 24 19 44 o 2.4270  0.6962 -0.5576000     1.392000  
1 1 1 24 20 0  o 3.0420  1.1250 0.000000       0.000000  
1 1 1 24 20 1  o 5.8480  0.4130 1.671000       0.8261000 
1 1 1 24 20 2  o 6.9580  0.3379 0.2928000      0.6758000 
1 1 1 24 20 3  o 1.5220  0.5131 0.1841000E-01  1.026000  
1 1 1 24 20 4  o 3.7260  0.6573 -0.1576000     1.315000  
1 1 1 24 20 5  o 2.7430  0.7114 -0.6431000     1.423000  
1 1 1 24 20 6  o 3.5400  0.6963 -1.233000      1.393000  
1 1 1 24 20 7  o 9.4980  0.2856 0.8194000      0.5712000 
1 1 1 24 20 8  o 4.2480  0.5791 -0.7900000E-01 1.158000  
1 1 1 24 20 9  o 2.7100  0.6596 0.1666000      1.319000  
1 1 1 24 20 10 o 4.0030  0.5460 0.9567000      1.092000  
1 1 1 24 20 11 o 4.7390  0.4641 0.9599000      0.9281000 
1 1 1 24 20 12 f 2.7600  0.6302 0.3629000      1.260000  
1 1 1 24 20 13 o 2.2740  0.6214 -0.1101000     1.243000  
1 1 1 24 20 14 o 5.0940  0.4523 0.4649000      0.9047000 
1 1 1 24 20 15 o 3.7430  0.6020 -2.666000      1.204000  
1 1 1 24 20 16 o 2.3520  0.6879 0.5649000      1.376000  
1 1 1 24 20 17 o 4.3380  0.6984 -1.585000      1.397000  
1 1 1 24 20 18 o 2.5410  0.6836 -1.043000      1.367000  
1 1 1 24 20 19 o 9.0470  0.2419 0.6884000      0.4838000 
1 1 1 24 20 20 f 2.0690  0.5875 0.3240000      1.175000  
1 1 1 24 20 21 o 6.5430  0.3062 -0.3248000     0.6124000 
1 1 1 24 20 22 o 4.6300  0.4413 0.6118000      0.8826000 
1 1 1 24 20 23 o 2.8840  0.6053 -0.4842000     1.211000  
1 1 1 24 20 24 o 4.7740  0.4359 1.091000       0.8718000 
1 1 1 24 20 25 o 2.0540  0.5885 -0.1792000     1.177000  
1 1 1 24 20 26 o 4.6080  0.4353 0.8633000E-01  0.8705000 
1 1 1 24 20 27 o 5.4400  0.3952 -0.1432000     0.7903000 
1 1 1 24 20 28 o 2.3660  0.5796 0.8535000      1.159000  
1 1 1 24 20 29 f 3.3900  0.5752 0.3009000      1.150000  
1 1 1 24 20 30 o 2.2350  0.5994 -1.034000      1.199000  
1 1 1 24 20 31 f 2.4460  0.5954 -0.4989000     1.191000  
1 1 1 24 20 32 o 2.3610  0.5882 0.1354000      1.176000  
1 1 1 24 20 33 o 2.2530  0.6106 1.176000       1.221000  
1 1 1 24 20 34 o 3.1670  0.7284 -1.009000      1.457000  
1 1 1 24 20 35 o 3.7250  0.5620 -1.881000      1.124000  
1 1 1 24 20 36 o 2.4070  0.5454 1.163000       1.091000  
1 1 1 24 20 37 o 1.8100  0.5811 -0.4850000     1.162000  
1 1 1 24 20 38 o 5.0360  0.5022 0.8245000      1.004000  
1 1 1 24 20 39 o 4.7800  0.6657 1.369000       1.331000  
1 1 1 24 20 40 o 3.0260  0.7563 -0.8515000     1.513000  
1 1 1 24 20 41 o 5.3830  0.6330 0.5230000      1.266000  
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1 1 1 24 21 0  o 14.010  0.3005 0.000000       0.000000  
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1 1 1 24 21 3  o 5.7870  0.4606 -0.9388000     0.9212000 
1 1 1 24 21 4  o 6.8190  0.4201 -0.7744000     0.8402000 
1 1 1 24 21 5  o 2.3080  0.6381 -1.503000      1.276000  
1 1 1 24 21 6  o 3.0570  0.6587 0.9789000      1.317000  
1 1 1 24 21 7  o 6.3330  0.3965 -1.156000      0.7930000 
1 1 1 24 21 8  o 5.6360  0.4063 0.1580000      0.8125000 
1 1 1 24 21 9  o 6.4150  0.3524 0.2645000      0.7048000 
1 1 1 24 21 10 o 2.3690  0.6397 -0.1828000     1.279000  
1 1 1 24 21 11 o 6.1510  0.3554 1.008000       0.7109000 
1 1 1 24 21 12 o 3.9720  0.5408 1.892000       1.082000  
1 1 1 24 21 13 o 3.9730  0.5308 0.4496000      1.062000  
1 1 1 24 21 14 o 1.9160  0.5769 0.3843000      1.154000  
1 1 1 24 21 15 o 2.4410  0.6459 -0.5108000     1.292000  
1 1 1 24 21 16 o 3.9950  0.6798 0.4960000      1.360000  
1 1 1 24 21 17 o 4.4290  0.6185 -0.8818000     1.237000  
1 1 1 24 21 18 o 4.1220  0.5724 2.199000       1.145000  
1 1 1 24 21 19 o 3.9940  0.5155 -1.268000      1.031000  
1 1 1 24 21 20 o 4.4150  0.4850 1.758000       0.9699000 
1 1 1 24 21 21 o 5.1140  0.3969 0.3318000      0.7939000 
1 1 1 24 21 22 o 5.1530  0.4079 0.8264000      0.8159000 
1 1 1 24 21 23 o 2.1810  0.5733 -1.326000      1.147000  
1 1 1 24 21 24 o 1.7070  0.5299 0.6192000      1.060000  
1 1 1 24 21 25 o 3.1050  0.6535 -0.6160000E-01 1.307000  
1 1 1 24 21 26 o 7.3450  0.3187 -0.2440000     0.6373000 
1 1 1 24 21 27 o 3.2100  0.5732 0.9545000      1.146000  
1 1 1 24 21 28 o 3.6700  0.5541 0.3540000      1.108000  
1 1 1 24 21 29 o 3.9560  0.5006 -0.9765000     1.001000  
1 1 1 24 21 30 o 5.1460  0.3652 -0.7557000     0.7304000 
1 1 1 24 21 31 o 4.3480  0.4513 0.5221000      0.9026000 
1 1 1 24 21 32 o 2.9400  0.5697 1.719000       1.139000  
1 1 1 24 21 33 o 2.7810  0.6265 -0.1910000     1.253000  
1 1 1 24 21 34 o 4.2630  0.6681 0.1999000E-01  1.336000  
1 1 1 24 21 35 o 4.5400  0.7879 -0.2847000     1.576000  
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1 1 1 24 21 40 o 2.9500  0.7838 0.5850000      1.568000  
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1 1 1 24 22 0  o 1.5830  0.9815 0.000000       0.000000  
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1 1 1 24 22 4  o 7.6370  0.3541 1.082000       0.7082000 
1 1 1 24 22 5  o 4.5580  0.5705 1.520000       1.141000  
1 1 1 24 22 6  o 2.3560  0.6321 0.9234000      1.264000  
1 1 1 24 22 7  o 4.8670  0.4964 1.719000       0.9929000 
1 1 1 24 22 8  o 3.8070  0.5904 -0.7262000     1.181000  
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1 1 1 24 22 13 o 5.6320  0.4090 -0.2951000     0.8180000 
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1 1 1 24 22 17 o 1.9630  0.5904 -0.8466000     1.181000  
1 1 1 24 22 18 o 7.1420  0.3907 0.2738000      0.7814000 
1 1 1 24 22 19 o 4.4000  0.5532 -2.056000      1.106000  
1 1 1 24 22 20 o 7.1050  0.3010 0.2811000      0.6021000 
1 1 1 24 22 21 o 1.6500  0.5267 0.5572000      1.053000  
1 1 1 24 22 22 o 2.3450  0.6228 0.5542000E-02  1.246000  
1 1 1 24 22 23 o 2.5970  0.5134 -2.525000      1.027000  
1 1 1 24 22 24 o 2.8440  0.6452 1.163000       1.290000  
1 1 1 24 22 25 o 3.3960  0.6550 0.1763000      1.310000  
1 1 1 24 22 26 o 5.1930  0.4743 -0.5716000     0.9485000 
1 1 1 24 22 27 o 2.7770  0.5669 -2.711000      1.134000  
1 1 1 24 22 28 o 2.0410  0.6028 0.2446000      1.206000  
1 1 1 24 22 29 o 3.3590  0.5557 -2.370000      1.111000  
1 1 1 24 22 30 o 1.6020  0.5266 0.1061000      1.053000  
1 1 1 24 22 31 o 2.5940  0.6457 -0.2461000     1.291000  
1 1 1 24 22 32 o 6.6200  0.3361 -0.8921000E-02 0.6723000 
1 1 1 24 22 33 o 2.1900  0.5734 -1.311000      1.147000  
1 1 1 24 22 34 o 2.4470  0.6249 -0.1759000     1.250000  
1 1 1 24 22 35 o 1.8850  0.5948 -0.2238000     1.190000  
1 1 1 24 22 36 o 2.3500  0.6859 0.2706000      1.372000  
1 1 1 24 22 37 o 2.4690  0.6975 -1.878000      1.395000  
1 1 1 24 22 38 o 1.7490  0.5648 0.1604000      1.130000  
1 1 1 24 22 39 o 2.2360  0.6125 0.4774000      1.225000  
1 1 1 24 23 0  o 8.5120  0.4098 0.000000       0.000000  
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1 1 1 24 23 2  o 10.0000 0.2889 -0.6987000     0.5779000 
1 1 1 24 23 3  o 1.6110  0.5290 -0.6883000     1.058000  
1 1 1 24 23 4  o 3.2360  0.6133 1.854000       1.227000  
1 1 1 24 23 5  o 3.5460  0.6585 0.8065000      1.317000  
1 1 1 24 23 6  o 5.3640  0.4107 0.6113000      0.8214000 
1 1 1 24 23 7  o 2.6150  0.4887 2.550000       0.9773000 
1 1 1 24 23 8  o 3.2780  0.5716 1.746000       1.143000  
1 1 1 24 23 9  o 4.2340  0.5146 -1.253000      1.029000  
1 1 1 24 23 10 o 6.5670  0.3274 -0.2558000     0.6548000 
1 1 1 24 23 11 o 5.0990  0.4220 0.2690000      0.8439000 
1 1 1 24 23 12 o 4.6050  0.5102 1.242000       1.020000  
1 1 1 24 23 13 o 4.2890  0.6301 -1.141000      1.260000  
1 1 1 24 23 14 o 2.9420  0.6222 0.6004000      1.244000  
1 1 1 24 23 15 o 2.1450  0.6052 0.4005000E-01  1.210000  
1 1 1 24 23 16 o 2.6330  0.6471 0.6177000      1.294000  
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1 1 1 24 23 24 o 4.5350  0.4976 0.2489000E-01  0.9952000 
1 1 1 24 23 25 o 2.5570  0.6487 0.7319000      1.297000  
1 1 1 24 23 26 o 2.5300  0.5963 1.698000       1.193000  
1 1 1 24 23 27 o 4.8880  0.4309 -0.7385000     0.8618000 
1 1 1 24 23 28 o 2.6360  0.6244 0.3917000      1.249000  
1 1 1 24 23 29 o 2.6440  0.5725 -1.646000      1.145000  
1 1 1 24 23 30 o 4.1150  0.4973 0.5411000      0.9947000 
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1 1 1 24 23 32 o 2.2840  0.6139 -0.5018000E-01 1.228000  
1 1 1 24 23 33 o 3.0290  0.5574 1.876000       1.115000  
1 1 1 24 23 34 o 1.6240  0.5247 0.4322000      1.049000  
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1 1 1 25 1  4  o 2.7210  0.7283 0.4752000      1.457000  
1 1 1 25 1  5  o 21.970  0.1913 -0.3680000     0.3827000 
1 1 1 25 1  6  o 4.3980  0.6539 0.4006000      1.308000  
1 1 1 25 1  7  o 5.8510  0.7184 ?              ?         
1 1 1 25 1  8  o 12.820  0.2634 -0.4110000     0.5268000 
1 1 1 25 1  9  o 7.4750  0.5102 0.4805000      1.020000  
1 1 1 25 1  10 o 7.2330  0.5253 -0.6457000     1.051000  
1 1 1 25 1  11 o 9.2510  0.4174 -0.1133000     0.8347000 
1 1 1 25 1  12 o 5.1310  0.6673 -1.101000      1.335000  
1 1 1 25 1  13 o 2.9560  0.7537 -1.035000      1.507000  
1 1 1 25 1  14 o 2.0990  0.6780 -0.8114000     1.356000  
1 1 1 25 1  15 o 2.6580  0.7685 -0.7519000     1.537000  
1 1 1 25 1  16 o 5.2740  0.6340 0.5266000      1.268000  
1 1 1 25 1  17 o 9.2980  0.3299 -0.4090000     0.6597000 
1 1 1 25 1  18 o 10.220  0.3048 1.204000       0.6097000 
1 1 1 25 1  19 f 4.7750  0.6254 -1.174000      1.251000  
1 1 1 25 1  20 o 13.850  0.2417 0.2012000      0.4834000 
1 1 1 25 1  21 o 9.5950  0.3157 -0.2292000     0.6314000 
1 1 1 25 1  22 o 4.3730  0.6549 -1.674000      1.310000  
1 1 1 25 1  23 o 5.3040  0.5451 -0.7556000     1.090000  
1 1 1 25 1  24 o 14.940  0.2292 -0.7849000     0.4584000 
1 1 1 25 1  25 o 4.5710  0.6057 0.2960000      1.211000  
1 1 1 25 1  26 o 2.7450  0.7237 0.7597000      1.447000  
1 1 1 25 1  27 o 8.5010  0.3685 0.3764000      0.7369000 
1 1 1 25 1  28 o 2.2980  0.6909 0.1399000E-01  1.382000  
1 1 1 25 1  29 o 2.0920  0.6526 0.3765000      1.305000  
1 1 1 25 1  30 o 12.400  0.2783 0.9451000E-01  0.5565000 
1 1 1 25 1  31 o 11.230  0.3246 0.3479000      0.6492000 
1 1 1 25 1  32 o 5.9450  0.5529 0.3755000      1.106000  
1 1 1 25 1  33 o 8.8500  0.3762 -0.1919000     0.7524000 
1 1 1 25 1  34 o 6.9670  0.4690 0.3670000      0.9380000 
1 1 1 25 1  35 o 10.150  0.3103 0.3063000      0.6206000 
1 1 1 25 1  36 o 5.8460  0.4380 0.3699000      0.8759000 
1 1 1 25 1  37 o 7.1510  0.3614 -0.8445000     0.7228000 
1 1 1 25 1  38 o 1.8900  0.6209 0.4603000      1.242000  
1 1 1 25 1  39 o 4.3890  0.8686 1.348000       1.737000  
1 1 1 25 1  40 o 10.400  0.3455 0.5809000      0.6909000 
1 1 1 25 1  41 o 4.6220  0.7861 ?              ?         
1 1 1 25 1  42 o 2.2150  0.6703 0.5444000      1.341000  
1 1 1 25 1  43 o 5.5820  0.5728 -2.342000      1.146000  
1 1 1 25 1  44 o 3.2420  0.6456 -1.647000      1.291000  
1 1 1 25 1  45 o 1.7000  0.5599 0.2731000      1.120000  
1 1 1 25 1  46 o 5.8080  0.4644 1.815000       0.9288000 
1 1 1 25 1  47 o 1.8820  0.5907 0.6424000      1.181000  
1 1 1 25 1  48 o 3.3530  0.6778 -0.1106000     1.356000  
1 1 1 25 1  49 o 1.8790  0.5978 0.8924000E-01  1.196000  
1 1 1 25 1  50 o 1.8430  0.5925 0.1214000      1.185000  
1 1 1 25 1  51 o 4.0980  0.6884 -0.4812000     1.377000  
1 1 1 25 1  52 o 2.6350  0.7173 0.2415000      1.435000  
1 1 1 25 1  53 o 2.1330  0.7106 -1.228000      1.421000  
1 1 1 25 1  54 o 1.9400  0.6544 -0.3961000     1.309000  
1 1 1 25 1  55 o 2.6870  0.7170 1.053000       1.434000  
1 1 1 25 1  56 o 3.0090  0.7733 0.6396000      1.547000  
1 1 1 25 2  0  o 7.0440  0.6134 0.000000       0.000000  
1 1 1 25 2  1  o 3.1460  0.7146 0.4303000      1.429000  
1 1 1 25 2  2  o 8.4220  0.3408 -0.8642000     0.6817000 
1 1 1 25 2  3  o 9.1340  0.2983 -0.4840000     0.5966000 
1 1 1 25 2  4  o 12.720  0.2451 0.1184000      0.4903000 
1 1 1 25 2  5  o 9.3520  0.3144 0.5055000      0.6287000 
1 1 1 25 2  6  o 13.480  0.2820 0.5917000      0.5640000 
1 1 1 25 2  7  o 5.2490  0.6519 0.8235000      1.304000  
1 1 1 25 2  8  o 4.1060  0.7494 -1.687000      1.499000  
1 1 1 25 2  9  o 10.320  0.3142 0.2288000      0.6285000 
1 1 1 25 2  10 f 11.780  0.2938 -0.7830000E-01 0.5876000 
1 1 1 25 2  11 o 16.480  0.3009 0.4624000      0.6018000 
1 1 1 25 2  12 o 3.1780  0.7849 -1.240000      1.570000  
1 1 1 25 2  13 o 12.500  0.2945 -0.6487000     0.5890000 
1 1 1 25 2  14 o 16.850  0.2664 0.6209000E-01  0.5327000 
1 1 1 25 2  15 o 2.6960  0.7505 -1.265000      1.501000  
1 1 1 25 2  16 o 6.1350  0.5378 -0.6570000     1.076000  
1 1 1 25 2  17 o 6.2270  0.5666 3.442000       1.133000  
1 1 1 25 2  18 o 3.4120  0.7451 0.1094000      1.490000  
1 1 1 25 2  19 o 10.090  0.3035 -0.5582000     0.6070000 
1 1 1 25 2  20 f 3.7950  0.7167 0.5485000      1.433000  
1 1 1 25 2  21 o 7.5840  0.3872 0.1962000      0.7743000 
1 1 1 25 2  22 o 4.7570  0.6211 2.381000       1.242000  
1 1 1 25 2  23 o 3.4910  0.7708 -0.6054000     1.542000  
1 1 1 25 2  24 o 7.0110  0.4652 1.046000       0.9303000 
1 1 1 25 2  25 o 11.660  0.2932 0.3845000E-01  0.5863000 
1 1 1 25 2  26 o 2.3320  0.7041 -0.1011000     1.408000  
1 1 1 25 2  27 o 3.6350  0.7421 -0.9821000     1.484000  
1 1 1 25 2  28 o 12.210  0.2799 -0.4808000     0.5598000 
1 1 1 25 2  29 o 8.1860  0.3857 0.2090000      0.7714000 
1 1 1 25 2  30 o 3.5420  0.7521 -0.5206000     1.504000  
1 1 1 25 2  31 o 2.8560  0.7147 -1.634000      1.429000  
1 1 1 25 2  32 f 9.1050  0.3439 0.5270000      0.6877000 
1 1 1 25 2  33 o 8.0460  0.4147 -0.5149000     0.8294000 
1 1 1 25 2  34 o 6.5590  0.4967 0.3706000      0.9935000 
1 1 1 25 2  35 o 6.8910  0.4632 0.2590000      0.9265000 
1 1 1 25 2  36 o 4.5940  0.6786 -1.684000      1.357000  
1 1 1 25 2  37 o 7.2150  0.4154 0.7213000      0.8309000 
1 1 1 25 2  38 o 2.9720  0.7865 0.7427000E-01  1.573000  
1 1 1 25 2  39 o 2.6330  0.7898 -0.2347000E-01 1.580000  
1 1 1 25 2  40 o 2.3850  0.7484 -0.7625000     1.497000  
1 1 1 25 2  41 o 2.9930  0.7993 -0.6209000     1.599000  
1 1 1 25 2  42 o 6.0800  0.6058 0.6784000E-01  1.212000  
1 1 1 25 2  43 o 7.8940  0.4744 -1.336000      0.9487000 
1 1 1 25 2  44 o 6.2160  0.5005 0.6517000      1.001000  
1 1 1 25 2  45 o 7.5950  0.3921 0.5319000      0.7841000 
1 1 1 25 2  46 o 2.1090  0.6510 -1.092000      1.302000  
1 1 1 25 2  47 o 3.4580  0.6116 -3.228000      1.223000  
1 1 1 25 2  48 o 2.3290  0.6729 0.3416000      1.346000  
1 1 1 25 2  49 o 2.8190  0.6789 0.6085000      1.358000  
1 1 1 25 2  50 o 1.9730  0.6107 0.3026000      1.221000  
1 1 1 25 2  51 o 1.7430  0.5706 -0.1530000     1.141000  
1 1 1 25 2  52 o 2.4690  0.6908 0.2980000      1.382000  
1 1 1 25 2  53 o 2.6900  0.6246 -2.071000      1.249000  
1 1 1 25 2  54 o 5.1610  0.5568 -1.923000      1.114000  
1 1 1 25 2  55 o 3.0400  0.6657 -1.503000      1.331000  
1 1 1 25 2  56 o 5.2980  0.5341 -2.605000      1.068000  
1 1 1 25 3  0  o 17.450  0.3050 0.000000       0.000000  
1 1 1 25 3  1  o 10.300  0.3157 -0.3106000     0.6314000 
1 1 1 25 3  2  o 11.170  0.2677 -0.3453000     0.5354000 
1 1 1 25 3  3  o 8.6580  0.3339 -0.3654000     0.6677000 
1 1 1 25 3  4  o 3.5520  0.7199 1.432000       1.440000  
1 1 1 25 3  5  o 7.7250  0.3928 0.8364000      0.7855000 
1 1 1 25 3  6  o 4.3240  0.6648 2.293000       1.330000  
1 1 1 25 3  7  o 2.8640  0.7806 -0.5004000     1.561000  
1 1 1 25 3  8  o 3.5910  0.7416 2.331000       1.483000  
1 1 1 25 3  9  o 3.3970  0.7086 -1.237000      1.417000  
1 1 1 25 3  10 o 5.6370  0.7090 -0.5058000     1.418000  
1 1 1 25 3  11 f 3.3830  0.8394 0.7232000      1.679000  
1 1 1 25 3  12 o 7.7870  0.5129 -0.2662000     1.026000  
1 1 1 25 3  13 o 8.3110  0.4120 -0.2489000     0.8241000 
1 1 1 25 3  14 o 4.6540  0.7112 1.032000       1.422000  
1 1 1 25 3  15 o 10.450  0.3421 0.5363000      0.6843000 
1 1 1 25 3  16 o 14.030  0.2737 0.2284000      0.5474000 
1 1 1 25 3  17 o 3.5560  0.7237 1.235000       1.447000  
1 1 1 25 3  18 o 9.2700  0.3282 0.8037000      0.6564000 
1 1 1 25 3  19 o 4.6310  0.6301 0.2475000      1.260000  
1 1 1 25 3  20 o 16.510  0.2192 -0.1220000     0.4385000 
1 1 1 25 3  21 o 8.9300  0.3686 -1.315000      0.7371000 
1 1 1 25 3  22 o 13.450  0.2962 1.408000       0.5924000 
1 1 1 25 3  23 o 4.8600  0.6581 0.3562000      1.316000  
1 1 1 25 3  24 o 15.450  0.2502 0.5167000      0.5004000 
1 1 1 25 3  25 o 8.7510  0.3710 0.9324000      0.7421000 
1 1 1 25 3  26 o 12.220  0.2847 -0.2153000     0.5694000 
1 1 1 25 3  27 o 5.9150  0.5199 -0.2478000     1.040000  
1 1 1 25 3  28 o 6.4270  0.4780 -0.4302000     0.9561000 
1 1 1 25 3  29 o 10.120  0.3216 0.3043000      0.6432000 
1 1 1 25 3  30 o 2.3090  0.7027 -0.7248000     1.405000  
1 1 1 25 3  31 o 4.2130  0.7327 0.8368000      1.465000  
1 1 1 25 3  32 o 7.7960  0.4188 -0.3209000     0.8376000 
1 1 1 25 3  33 o 3.5150  0.7726 -0.5081000     1.545000  
1 1 1 25 3  34 o 2.0930  0.6539 0.7414000      1.308000  
1 1 1 25 3  35 o 2.0870  0.6530 0.7551000      1.306000  
1 1 1 25 3  36 o 10.370  0.3115 -0.1999000     0.6231000 
1 1 1 25 3  37 o 2.2240  0.6631 0.8854000E-01  1.326000  
1 1 1 25 3  38 o 2.1350  0.6655 0.2485000      1.331000  
1 1 1 25 3  39 o 4.5150  0.7154 0.3134000      1.431000  
1 1 1 25 3  40 o 3.4910  0.7428 -0.5313000     1.486000  
1 1 1 25 3  41 o 3.9540  0.6547 1.866000       1.309000  
1 1 1 25 3  42 o 5.7450  0.5463 1.918000       1.093000  
1 1 1 25 3  43 o 9.8010  0.3447 1.383000       0.6894000 
1 1 1 25 3  44 o 7.6290  0.3617 -0.4022000E-01 0.7234000 
1 1 1 25 3  45 o 3.5720  0.6534 0.3420000      1.307000  
1 1 1 25 3  46 o 2.4850  0.6394 -1.350000      1.279000  
1 1 1 25 3  47 o 2.1200  0.6358 -0.1880000     1.272000  
1 1 1 25 3  48 o 4.7860  0.5204 -0.7022000     1.041000  
1 1 1 25 3  49 o 2.8950  0.6810 -0.4702000     1.362000  
1 1 1 25 3  50 o 2.7680  0.6467 1.445000       1.293000  
1 1 1 25 3  51 o 3.8780  0.6718 1.224000       1.344000  
1 1 1 25 3  52 o 2.6430  0.6785 -1.175000      1.357000  
1 1 1 25 3  53 o 7.9510  0.3331 -0.6278000     0.6663000 
1 1 1 25 3  54 o 2.4600  0.6639 0.6363000      1.328000  
1 1 1 25 3  55 o 2.8610  0.6991 -0.3200000     1.398000  
1 1 1 25 3  56 o 2.3860  0.6762 -0.1457000     1.352000  
1 1 1 25 4  0  o 18.110  0.2994 0.000000       0.000000  
1 1 1 25 4  1  o 14.250  0.2412 -1.162000      0.4823000 
1 1 1 25 4  2  o 16.920  0.2160 0.4946000      0.4321000 
1 1 1 25 4  3  o 12.600  0.2959 -0.5808000     0.5918000 
1 1 1 25 4  4  o 6.5970  0.4546 -1.221000      0.9092000 
1 1 1 25 4  5  o 12.600  0.2599 -0.6768000     0.5198000 
1 1 1 25 4  6  o 4.6690  0.6901 2.627000       1.380000  
1 1 1 25 4  7  o 13.000  0.2428 0.3510000      0.4855000 
1 1 1 25 4  8  f 4.1340  0.6703 0.4340000      1.341000  
1 1 1 25 4  9  o 4.6410  0.6772 -0.3679000     1.354000  
1 1 1 25 4  10 o 9.7770  0.4108 -0.5400000     0.8217000 
1 1 1 25 4  11 o 3.8310  0.7733 -1.804000      1.547000  
1 1 1 25 4  12 f 7.3750  0.5567 -0.5705000     1.113000  
1 1 1 25 4  13 o 14.160  0.2343 -0.6358000     0.4687000 
1 1 1 25 4  14 o 17.540  0.2478 -0.5775000     0.4955000 
1 1 1 25 4  15 o 16.990  0.2497 0.4481000      0.4995000 
1 1 1 25 4  16 o 16.640  0.2481 -0.4800000     0.4961000 
1 1 1 25 4  17 o 15.520  0.2293 0.8084000      0.4585000 
1 1 1 25 4  18 o 6.4550  0.4610 1.168000       0.9220000 
1 1 1 25 4  19 o 5.6100  0.6135 1.332000       1.227000  
1 1 1 25 4  20 o 2.7420  0.7586 -1.085000      1.517000  
1 1 1 25 4  21 o 17.130  0.2416 -0.3425000     0.4831000 
1 1 1 25 4  22 o 4.6780  0.6824 0.5225000      1.365000  
1 1 1 25 4  23 o 9.7240  0.3821 1.361000       0.7642000 
1 1 1 25 4  24 o 12.600  0.3085 0.7111000      0.6170000 
1 1 1 25 4  25 o 3.0270  0.6884 2.438000       1.377000  
1 1 1 25 4  26 o 14.670  0.2777 -0.5788000     0.5554000 
1 1 1 25 4  27 o 5.5560  0.6162 1.109000       1.232000  
1 1 1 25 4  28 o 6.2700  0.5300 -0.8291000     1.060000  
1 1 1 25 4  29 o 7.4260  0.4447 0.6494000      0.8894000 
1 1 1 25 4  30 o 3.0030  0.7460 1.240000       1.492000  
1 1 1 25 4  31 o 8.1620  0.4085 -0.7961000     0.8169000 
1 1 1 25 4  32 o 6.1990  0.7588 ?              ?         
1 1 1 25 4  33 o 4.4470  0.6527 1.281000       1.305000  
1 1 1 25 4  34 o 1.9380  0.6222 -0.3915000     1.244000  
1 1 1 25 4  35 o 7.9130  0.3865 -0.4125000     0.7730000 
1 1 1 25 4  36 o 6.9490  0.4350 -0.8482000     0.8700000 
1 1 1 25 4  37 o 3.9270  0.6555 -0.5765000     1.311000  
1 1 1 25 4  38 o 2.5040  0.7132 0.9524000E-01  1.426000  
1 1 1 25 4  39 o 4.6720  0.6973 -1.318000      1.395000  
1 1 1 25 4  40 o 6.9860  0.4560 0.5093000      0.9120000 
1 1 1 25 4  41 o 3.6090  0.7142 -0.3195000     1.428000  
1 1 1 25 4  42 o 10.950  0.3007 0.7373000E-01  0.6015000 
1 1 1 25 4  43 o 3.8040  0.6276 -2.244000      1.255000  
1 1 1 25 4  44 o 1.9670  0.8789 ?              ?         
1 1 1 25 4  45 o 3.2860  0.6698 -0.7060000     1.340000  
1 1 1 25 4  46 o 4.9840  0.4996 -0.9908000     0.9992000 
1 1 1 25 4  47 o 4.0770  0.5956 0.1671000      1.191000  
1 1 1 25 4  48 o 3.3340  0.6395 -1.753000      1.279000  
1 1 1 25 4  49 o 2.1550  0.6602 -0.2548000     1.320000  
1 1 1 25 4  50 o 2.6370  0.6809 0.2865000      1.362000  
1 1 1 25 4  51 o 2.8400  0.6247 -2.062000      1.249000  
1 1 1 25 4  52 o 2.7750  0.6467 -1.540000      1.293000  
1 1 1 25 4  53 o 2.9030  0.6710 0.8004000      1.342000  
1 1 1 25 4  54 o 3.5890  0.6535 -0.8633000     1.307000  
1 1 1 25 4  55 o 3.5400  0.6172 1.968000       1.234000  
1 1 1 25 5  0  o 2.0390  1.1840 0.000000       0.000000  
1 1 1 25 5  1  o 4.3380  0.6797 0.1190000      1.359000  
1 1 1 25 5  2  o 29.420  0.1961 0.1308000      0.3922000 
1 1 1 25 5  3  o 7.1300  0.4578 0.2825000      0.9156000 
1 1 1 25 5  4  f 13.390  0.2485 0.4194000      0.4971000 
1 1 1 25 5  5  o 13.090  0.2392 0.9975000      0.4783000 
1 1 1 25 5  6  o 12.490  0.2478 -0.6262000     0.4957000 
1 1 1 25 5  7  o 8.3080  0.3716 0.1097000      0.7433000 
1 1 1 25 5  8  o 5.2870  0.5928 -0.8820000     1.186000  
1 1 1 25 5  9  o 8.9210  0.3544 -0.3781000     0.7088000 
1 1 1 25 5  10 o 12.620  0.2830 -0.6014000     0.5660000 
1 1 1 25 5  11 o 13.660  0.3163 ?              ?         
1 1 1 25 5  12 o 10.610  0.3192 -0.3324000     0.6385000 
1 1 1 25 5  13 o 12.540  0.2655 -0.4606000     0.5310000 
1 1 1 25 5  14 o 5.7060  0.5328 1.078000       1.066000  
1 1 1 25 5  15 o 5.0880  0.5824 -0.7871000     1.165000  
1 1 1 25 5  16 o 14.560  0.2700 0.7219000      0.5399000 
1 1 1 25 5  17 f 9.5880  0.3724 1.526000       0.7448000 
1 1 1 25 5  18 o 11.660  0.3037 -0.7105000     0.6073000 
1 1 1 25 5  19 o 12.630  0.2909 0.6598000      0.5817000 
1 1 1 25 5  20 o 5.0260  0.7044 -0.3065000     1.409000  
1 1 1 25 5  21 o 9.8410  0.3754 -0.4014000     0.7508000 
1 1 1 25 5  22 o 8.2990  0.4301 -0.8053000E-01 0.8602000 
1 1 1 25 5  23 o 3.3250  0.8109 -0.6388000     1.622000  
1 1 1 25 5  24 o 13.230  0.3002 -0.3189000     0.6004000 
1 1 1 25 5  25 o 3.4140  0.8000 -0.7632000     1.600000  
1 1 1 25 5  26 o 15.470  0.2469 0.6066000      0.4939000 
1 1 1 25 5  27 o 7.9330  0.3903 0.7738000      0.7807000 
1 1 1 25 5  28 o 9.0760  0.3440 0.2021000      0.6880000 
1 1 1 25 5  29 o 3.1790  0.7456 -0.2871000     1.491000  
1 1 1 25 5  30 o 3.9000  0.6723 1.592000       1.345000  
1 1 1 25 5  31 o 2.7750  0.7193 0.4598000      1.439000  
1 1 1 25 5  32 o 6.5570  0.4414 -0.9957000     0.8828000 
1 1 1 25 5  33 o 10.760  0.2688 0.7612000E-01  0.5375000 
1 1 1 25 5  34 o 3.0620  0.7022 -0.7928000     1.404000  
1 1 1 25 5  35 o 2.7890  0.7012 -0.5642000     1.402000  
1 1 1 25 5  36 o 2.2470  0.6135 -1.707000      1.227000  
1 1 1 25 5  37 o 3.8790  0.6324 3.069000       1.265000  
1 1 1 25 5  38 o 4.1610  0.7216 1.491000       1.443000  
1 1 1 25 5  39 o 12.280  0.2682 0.2692000      0.5365000 
1 1 1 25 5  40 o 2.8350  0.7176 0.5795000      1.435000  
1 1 1 25 5  41 o 2.9610  0.7003 -0.6401000E-01 1.401000  
1 1 1 25 5  42 o 7.7300  0.3576 0.7077000      0.7152000 
1 1 1 25 5  43 o 8.7370  0.3224 0.1603000      0.6449000 
1 1 1 25 5  44 o 5.7950  0.4578 0.6022000      0.9156000 
1 1 1 25 5  45 o 3.9610  0.6567 1.252000       1.313000  
1 1 1 25 5  46 o 3.4540  0.6637 -0.9838000E-01 1.327000  
1 1 1 25 5  47 o 2.0160  0.6215 -0.7133000E-02 1.243000  
1 1 1 25 5  48 o 2.3550  0.6898 -0.2702000     1.380000  
1 1 1 25 5  49 o 2.0880  0.6360 0.2514000      1.272000  
1 1 1 25 5  50 o 2.2340  0.6435 -0.7751000     1.287000  
1 1 1 25 5  51 o 2.7560  0.6838 0.6841000E-01  1.368000  
1 1 1 25 5  52 o 2.1060  0.6161 0.6363000      1.232000  
1 1 1 25 5  53 o 4.0180  0.5976 -2.029000      1.195000  
1 1 1 25 5  54 o 1.8470  0.5803 -0.3660000     1.161000  
1 1 1 25 5  55 o 2.5970  0.6545 -0.6854000     1.309000  
1 1 1 25 6  0  o 18.400  0.2891 0.000000       0.000000  
1 1 1 25 6  1  o 9.5050  0.3128 -0.1319000     0.6256000 
1 1 1 25 6  2  o 8.2400  0.3603 -0.3732000     0.7206000 
1 1 1 25 6  3  o 3.1170  0.7164 -1.385000      1.433000  
1 1 1 25 6  4  o 6.4200  0.5515 -1.729000      1.103000  
1 1 1 25 6  5  o 21.340  0.2161 -0.3586000     0.4322000 
1 1 1 25 6  6  o 14.030  0.2465 -0.6594000E-01 0.4931000 
1 1 1 25 6  7  o 6.6170  0.4812 -1.608000      0.9625000 
1 1 1 25 6  8  o 9.1180  0.3417 1.238000       0.6834000 
1 1 1 25 6  9  o 4.8870  0.5988 -1.395000      1.198000  
1 1 1 25 6  10 o 10.080  0.2984 -0.4140000     0.5968000 
1 1 1 25 6  11 o 10.590  0.3169 -0.6619000     0.6338000 
1 1 1 25 6  12 o 11.900  0.2851 -0.3483000     0.5702000 
1 1 1 25 6  13 o 11.850  0.2836 0.5151000      0.5672000 
1 1 1 25 6  14 o 4.1520  0.6891 0.2001000E-01  1.378000  
1 1 1 25 6  15 o 9.5390  0.3526 0.4592000      0.7051000 
1 1 1 25 6  16 o 9.9150  0.3414 0.6211000      0.6828000 
1 1 1 25 6  17 o 5.5980  0.5884 0.7551000      1.177000  
1 1 1 25 6  18 o 13.290  0.3095 -0.2727000     0.6191000 
1 1 1 25 6  19 o 12.770  0.3125 0.3282000E-01  0.6250000 
1 1 1 25 6  20 o 5.5400  0.6456 1.084000       1.291000  
1 1 1 25 6  21 o 8.3550  0.6134 ?              ?         
1 1 1 25 6  22 o 10.630  0.3507 0.7183000      0.7014000 
1 1 1 25 6  23 o 8.9470  0.3574 -1.395000      0.7149000 
1 1 1 25 6  24 o 12.630  0.2769 -0.1893000     0.5539000 
1 1 1 25 6  25 o 4.6050  0.6566 -0.8026000     1.313000  
1 1 1 25 6  26 o 9.3650  0.3361 -0.2773000     0.6722000 
1 1 1 25 6  27 o 8.3120  0.3652 -0.4194000     0.7304000 
1 1 1 25 6  28 o 6.5050  0.4483 -0.1712000     0.8966000 
1 1 1 25 6  29 o 6.7500  0.4260 -0.7566000     0.8520000 
1 1 1 25 6  30 o 13.170  0.2652 1.326000       0.5304000 
1 1 1 25 6  31 f 9.1370  0.3496 1.511000       0.6993000 
1 1 1 25 6  32 o 5.5610  0.4680 -0.7284000     0.9359000 
1 1 1 25 6  33 o 9.0640  0.3008 -0.6440000     0.6016000 
1 1 1 25 6  34 o 5.0590  0.5147 -0.1018000     1.029000  
1 1 1 25 6  35 o 5.2410  0.5087 0.2642000      1.017000  
1 1 1 25 6  36 o 5.5530  0.4815 -0.3203000     0.9629000 
1 1 1 25 6  37 o 3.9020  0.7718 3.524000       1.544000  
1 1 1 25 6  38 o 7.3660  0.4065 -0.2046000     0.8130000 
1 1 1 25 6  39 o 4.4980  0.6539 0.7434000      1.308000  
1 1 1 25 6  40 o 3.1450  0.7568 0.1717000      1.514000  
1 1 1 25 6  41 o 4.8020  0.5735 0.7165000      1.147000  
1 1 1 25 6  42 o 6.2730  0.3877 -0.5067000     0.7753000 
1 1 1 25 6  43 o 3.2150  0.6320 1.250000       1.264000  
1 1 1 25 6  44 o 2.6700  0.6425 -1.345000      1.285000  
1 1 1 25 6  45 o 5.4900  0.4603 -0.1268000     0.9206000 
1 1 1 25 6  46 o 7.5960  0.5051 -0.6539000     1.010000  
1 1 1 25 6  47 o 5.8280  0.4331 -1.072000      0.8662000 
1 1 1 25 6  48 o 3.1630  0.6093 -2.389000      1.219000  
1 1 1 25 6  49 o 3.4520  0.5151 -3.181000      1.030000  
1 1 1 25 6  50 o 5.1790  0.4452 1.303000       0.8903000 
1 1 1 25 6  51 o 5.3560  0.4276 0.8622000      0.8551000 
1 1 1 25 6  52 o 5.8200  0.3906 -0.6515000     0.7812000 
1 1 1 25 6  53 o 3.2690  0.6370 -0.6522000     1.274000  
1 1 1 25 6  54 o 2.6440  0.6304 -1.393000      1.261000  
1 1 1 25 6  55 o 4.0540  0.5706 0.1499000      1.141000  
1 1 1 25 7  0  o 1.5940  1.0310 0.000000       0.000000  
1 1 1 25 7  1  o 2.8510  0.7519 -0.3804000     1.504000  
1 1 1 25 7  2  o 8.8800  0.3569 -0.1193000     0.7138000 
1 1 1 25 7  3  o 20.990  0.2141 0.8283000      0.4282000 
1 1 1 25 7  4  f 8.4840  0.3774 0.7900000      0.7548000 
1 1 1 25 7  5  o 6.2760  0.5073 -0.3164000     1.015000  
1 1 1 25 7  6  o 10.160  0.3567 0.9890000      0.7134000 
1 1 1 25 7  7  o 6.3840  0.4644 -0.5058000     0.9289000 
1 1 1 25 7  8  o 19.230  0.1926 0.4525000E-01  0.3851000 
1 1 1 25 7  9  f 6.3880  0.4298 0.7672000      0.8596000 
1 1 1 25 7  10 o 5.1120  0.5605 -1.343000      1.121000  
1 1 1 25 7  11 o 7.1370  0.4337 -0.1177000E-01 0.8674000 
1 1 1 25 7  12 o 8.5340  0.3640 0.2031000E-01  0.7280000 
1 1 1 25 7  13 o 10.650  0.2897 -0.8911000     0.5794000 
1 1 1 25 7  14 o 5.5090  0.6393 -0.5248000     1.279000  
1 1 1 25 7  15 o 14.070  0.2653 -0.6632000     0.5306000 
1 1 1 25 7  16 o 4.7080  0.7514 -1.281000      1.503000  
1 1 1 25 7  17 o 4.2740  0.7339 -0.1995000     1.468000  
1 1 1 25 7  18 o 6.5440  0.4862 0.3894000      0.9725000 
1 1 1 25 7  19 o 4.6680  0.7413 0.7560000      1.483000  
1 1 1 25 7  20 f 3.6810  0.7581 0.6956000E-01  1.516000  
1 1 1 25 7  21 o 2.7800  0.7314 -1.496000      1.463000  
1 1 1 25 7  22 o 8.2470  0.3841 0.2568000      0.7681000 
1 1 1 25 7  23 o 6.5130  0.4735 0.2430000E-02  0.9469000 
1 1 1 25 7  24 o 18.540  0.2276 -0.9929000E-01 0.4552000 
1 1 1 25 7  25 o 8.8970  0.3484 -0.6855000     0.6967000 
1 1 1 25 7  26 o 6.4660  0.4601 -0.1205000E-01 0.9202000 
1 1 1 25 7  27 o 6.9890  0.4314 0.8624000      0.8627000 
1 1 1 25 7  28 o 5.0840  0.5672 -0.3451000     1.134000  
1 1 1 25 7  29 o 8.1700  0.3718 -0.1576000     0.7435000 
1 1 1 25 7  30 f 7.6690  0.3897 0.4144000      0.7793000 
1 1 1 25 7  31 o 2.3040  0.6619 0.3511000      1.324000  
1 1 1 25 7  32 o 5.9200  0.4479 0.7473000      0.8959000 
1 1 1 25 7  33 o 7.7880  0.3510 0.9040000      0.7021000 
1 1 1 25 7  34 o 6.9480  0.3789 -0.3358000     0.7577000 
1 1 1 25 7  35 o 8.0400  0.3869 -0.3407000     0.7737000 
1 1 1 25 7  36 o 4.8760  0.6290 -1.723000      1.258000  
1 1 1 25 7  37 o 7.3090  0.4569 -0.7769000     0.9137000 
1 1 1 25 7  38 o 5.5360  0.5724 0.7860000      1.145000  
1 1 1 25 7  39 o 4.1690  0.7804 0.8964000      1.561000  
1 1 1 25 7  40 o 5.2830  0.6879 -2.117000      1.376000  
1 1 1 25 7  41 o 2.5650  0.5860 2.130000       1.172000  
1 1 1 25 7  42 o 3.1040  0.7191 0.5605000E-01  1.438000  
1 1 1 25 7  43 o 6.6610  0.4148 0.9275000      0.8295000 
1 1 1 25 7  44 o 8.5340  0.3217 0.5247000      0.6434000 
1 1 1 25 7  45 o 5.5070  0.4806 -0.3373000E-01 0.9612000 
1 1 1 25 7  46 o 3.7080  0.6396 -1.151000      1.279000  
1 1 1 25 7  47 o 6.5520  0.3856 0.6083000      0.7712000 
1 1 1 25 7  48 o 3.2090  0.6683 2.241000       1.337000  
1 1 1 25 7  49 o 7.2220  0.3978 -0.1243000     0.7956000 
1 1 1 25 7  50 o 2.8050  0.6328 0.8042000      1.266000  
1 1 1 25 7  51 o 3.6680  0.5968 -0.3675000     1.194000  
1 1 1 25 7  52 o 4.4470  0.5099 -1.082000      1.020000  
1 1 1 25 7  53 o 2.4730  0.6442 -1.345000      1.288000  
1 1 1 25 7  54 o 2.9150  0.7430 0.7839000      1.486000  
1 1 1 25 8  0  o 7.1520  0.6560 0.000000       0.000000  
1 1 1 25 8  1  o 3.5370  0.7847 0.6903000      1.569000  
1 1 1 25 8  2  o 3.4180  0.7918 -0.3918000     1.584000  
1 1 1 25 8  3  o 7.8330  0.4258 0.3645000      0.8516000 
1 1 1 25 8  4  f 13.970  0.2729 0.3446000      0.5458000 
1 1 1 25 8  5  o 10.010  0.3300 -1.013000      0.6601000 
1 1 1 25 8  6  o 3.9350  0.6346 2.836000       1.269000  
1 1 1 25 8  7  o 10.230  0.3341 1.759000       0.6682000 
1 1 1 25 8  8  f 7.9750  0.3732 0.8468000      0.7465000 
1 1 1 25 8  9  o 5.9770  0.4878 -1.600000      0.9756000 
1 1 1 25 8  10 o 7.6190  0.4192 1.302000       0.8384000 
1 1 1 25 8  11 o 5.6890  0.5576 -0.7089000     1.115000  
1 1 1 25 8  12 o 2.8390  0.7513 0.9955000      1.503000  
1 1 1 25 8  13 o 13.650  0.2408 0.5180000      0.4816000 
1 1 1 25 8  14 o 4.9420  0.6435 -1.882000      1.287000  
1 1 1 25 8  15 o 10.060  0.3810 -0.8456000     0.7619000 
1 1 1 25 8  16 o 7.1400  0.6431 -0.2146000     1.286000  
1 1 1 25 8  17 o 9.3290  0.3930 0.7526000      0.7860000 
1 1 1 25 8  18 o 6.6240  0.5255 -0.3280000     1.051000  
1 1 1 25 8  19 o 6.9240  0.3944 -0.3387000     0.7889000 
1 1 1 25 8  20 o 3.4250  0.7407 0.6511000      1.481000  
1 1 1 25 8  21 o 3.1700  0.7519 0.2936000      1.504000  
1 1 1 25 8  22 o 10.160  0.3228 0.3695000      0.6456000 
1 1 1 25 8  23 o 3.5990  0.7473 -0.8670000     1.495000  
1 1 1 25 8  24 o 8.7430  0.3578 0.4522000      0.7156000 
1 1 1 25 8  25 o 3.5730  0.7238 0.2857000      1.448000  
1 1 1 25 8  26 f 9.1490  0.3351 -0.4796000     0.6702000 
1 1 1 25 8  27 o 14.700  0.2463 -0.6546000     0.4926000 
1 1 1 25 8  28 o 8.2960  0.3679 -0.3680000     0.7358000 
1 1 1 25 8  29 o 6.8200  0.4601 1.477000       0.9203000 
1 1 1 25 8  30 o 5.9880  0.5154 1.288000       1.031000  
1 1 1 25 8  31 o 6.5450  0.4073 0.7231000      0.8146000 
1 1 1 25 8  32 o 4.0710  0.6322 -0.6800000     1.264000  
1 1 1 25 8  33 o 2.7370  0.6919 -1.046000      1.384000  
1 1 1 25 8  34 o 7.4980  0.4091 1.509000       0.8182000 
1 1 1 25 8  35 o 9.9840  0.3159 0.4344000      0.6318000 
1 1 1 25 8  36 o 3.5140  0.7335 0.4604000      1.467000  
1 1 1 25 8  37 o 5.6320  0.6165 1.669000       1.233000  
1 1 1 25 8  38 o 3.5650  0.6758 1.627000       1.352000  
1 1 1 25 8  39 o 3.2510  0.6884 0.2855000      1.377000  
1 1 1 25 8  40 o 4.0130  0.5347 -0.1240000     1.069000  
1 1 1 25 8  41 o 4.8710  0.4497 0.6270000      0.8994000 
1 1 1 25 8  42 o 4.7900  0.4613 0.4714000      0.9226000 
1 1 1 25 8  43 o 5.8230  0.4140 -0.2406000     0.8281000 
1 1 1 25 8  44 o 1.9310  0.5800 0.2321000      1.160000  
1 1 1 25 8  45 o 2.6560  0.6170 -1.331000      1.234000  
1 1 1 25 8  46 o 2.7590  0.5253 -2.589000      1.051000  
1 1 1 25 8  47 o 2.5560  0.6154 0.2239000      1.231000  
1 1 1 25 8  48 o 1.5440  0.5180 -0.3712000     1.036000  
1 1 1 25 8  49 o 2.8020  0.6043 0.5609000      1.209000  
1 1 1 25 8  50 o 4.6300  0.4668 0.9723000      0.9336000 
1 1 1 25 8  51 o 1.7820  0.5600 0.6960000E-01  1.120000  
1 1 1 25 8  52 o 4.3900  0.5052 0.2330000      1.010000  
1 1 1 25 8  53 o 4.9150  0.4618 0.3364000      0.9236000 
1 1 1 25 8  54 o 5.7750  0.3981 -0.1585000     0.7962000 
1 1 1 25 9  0  o 4.6510  0.9524 0.000000       0.000000  
1 1 1 25 9  1  o 8.8970  0.3558 1.282000       0.7117000 
1 1 1 25 9  2  o 10.100  0.3205 0.7531000      0.6411000 
1 1 1 25 9  3  o 4.6380  0.6659 0.9477000      1.332000  
1 1 1 25 9  4  o 6.1910  0.4931 0.9388000E-01  0.9863000 
1 1 1 25 9  5  o 9.4680  0.3379 -0.4593000     0.6758000 
1 1 1 25 9  6  o 10.020  0.3280 0.9825000E-01  0.6559000 
1 1 1 25 9  7  o 22.120  0.2141 0.2760000      0.4283000 
1 1 1 25 9  8  o 3.1570  0.7529 -1.413000      1.506000  
1 1 1 25 9  9  o 7.6690  0.4216 1.079000       0.8433000 
1 1 1 25 9  10 o 8.8570  0.3872 0.2374000      0.7743000 
1 1 1 25 9  11 f 9.4070  0.3630 -1.129000      0.7261000 
1 1 1 25 9  12 o 6.6390  0.5033 0.4095000      1.007000  
1 1 1 25 9  13 o 4.4650  0.6303 0.1704000      1.261000  
1 1 1 25 9  14 o 3.6330  0.8101 -0.8424000     1.620000  
1 1 1 25 9  15 o 8.3890  0.4300 0.5040000      0.8601000 
1 1 1 25 9  16 o 8.0300  0.4008 0.8980000      0.8017000 
1 1 1 25 9  17 o 2.9780  0.7661 0.3854000      1.532000  
1 1 1 25 9  18 o 1.7950  0.5932 -0.1397000     1.186000  
1 1 1 25 9  19 o 7.8130  0.5577 0.6624000      1.115000  
1 1 1 25 9  20 o 3.7820  0.6817 -2.929000      1.363000  
1 1 1 25 9  21 o 9.0110  0.3584 0.4818000      0.7167000 
1 1 1 25 9  22 o 3.0360  0.7138 -2.027000      1.428000  
1 1 1 25 9  23 o 4.0810  0.6858 1.166000       1.372000  
1 1 1 25 9  24 o 5.3610  0.5485 -0.4518000     1.097000  
1 1 1 25 9  25 o 5.6080  0.5207 -0.4148000E-01 1.041000  
1 1 1 25 9  26 o 2.3690  0.6849 0.2005000      1.370000  
1 1 1 25 9  27 o 6.1480  0.4739 -0.1100000     0.9479000 
1 1 1 25 9  28 o 3.9970  0.6901 -1.647000      1.380000  
1 1 1 25 9  29 o 5.9010  0.5108 0.8287000      1.022000  
1 1 1 25 9  30 o 3.6340  0.6798 -0.6497000E-01 1.360000  
1 1 1 25 9  31 o 11.220  0.2647 0.5665000      0.5294000 
1 1 1 25 9  32 f 10.440  0.2962 -0.1523000     0.5924000 
1 1 1 25 9  33 o 7.0430  0.3499 -0.7086000E-01 0.6998000 
1 1 1 25 9  34 o 4.4080  0.5634 -1.547000      1.127000  
1 1 1 25 9  35 o 3.2330  0.6866 2.006000       1.373000  
1 1 1 25 9  36 f 7.5020  0.4145 1.973000       0.8291000 
1 1 1 25 9  37 o 3.0080  0.7386 -0.9676000     1.477000  
1 1 1 25 9  38 o 4.2370  0.6566 1.112000       1.313000  
1 1 1 25 9  39 o 5.4510  0.4820 -1.131000      0.9639000 
1 1 1 25 9  40 o 2.5220  0.6181 0.4704000      1.236000  
1 1 1 25 9  41 o 2.4020  0.5932 -1.624000      1.186000  
1 1 1 25 9  42 o 6.7800  0.3644 0.1824000      0.7289000 
1 1 1 25 9  43 o 11.810  0.2158 -0.1278000     0.4316000 
1 1 1 25 9  44 o 6.5080  0.3260 -0.4933000     0.6520000 
1 1 1 25 9  45 o 7.1630  0.2975 0.3350000      0.5949000 
1 1 1 25 9  46 f 2.4010  0.6074 0.8104000E-01  1.215000  
1 1 1 25 9  47 o 2.2330  0.5574 0.9467000      1.115000  
1 1 1 25 9  48 o 6.7360  0.3070 -0.1822000     0.6140000 
1 1 1 25 9  49 o 3.7320  0.5409 1.869000       1.082000  
1 1 1 25 9  50 o 2.3140  0.6348 -1.059000      1.270000  
1 1 1 25 9  51 o 1.6420  0.5167 0.1979000      1.033000  
1 1 1 25 9  52 o 2.1120  0.6009 -0.5266000     1.202000  
1 1 1 25 9  53 o 2.4260  0.6214 -0.8800000     1.243000  
1 1 1 25 10 0  o 11.300  0.3843 0.000000       0.000000  
1 1 1 25 10 1  o 8.9330  0.3268 0.3750000      0.6535000 
1 1 1 25 10 2  o 11.070  0.2753 -0.2471000     0.5507000 
1 1 1 25 10 3  o 10.120  0.2934 -0.9789000E-01 0.5867000 
1 1 1 25 10 4  o 2.6190  0.7538 -0.3573000     1.508000  
1 1 1 25 10 5  o 12.370  0.2516 -0.1704000     0.5032000 
1 1 1 25 10 6  o 6.9110  0.4162 0.9810000      0.8324000 
1 1 1 25 10 7  o 17.390  0.2115 0.1843000      0.4230000 
1 1 1 25 10 8  o 11.660  0.2849 -0.1148000     0.5698000 
1 1 1 25 10 9  f 3.2710  0.7298 1.097000       1.460000  
1 1 1 25 10 10 o 10.210  0.3439 -0.2786000     0.6878000 
1 1 1 25 10 11 o 12.600  0.2959 -0.9985000E-01 0.5918000 
1 1 1 25 10 12 o 9.2000  0.3426 -0.6251000     0.6853000 
1 1 1 25 10 13 o 12.300  0.3686 0.5831000      0.7371000 
1 1 1 25 10 14 o 11.180  0.3893 -0.1073000     0.7786000 
1 1 1 25 10 15 f 2.0430  0.6472 -0.5952000     1.294000  
1 1 1 25 10 16 o 4.2950  0.7042 0.3896000      1.408000  
1 1 1 25 10 17 o 8.1220  0.3352 -0.6080000     0.6705000 
1 1 1 25 10 18 f 3.5790  0.7437 -1.161000      1.487000  
1 1 1 25 10 19 o 5.7850  0.5752 -0.1638000     1.150000  
1 1 1 25 10 20 o 2.7500  0.7003 -2.408000      1.401000  
1 1 1 25 10 21 o 7.7270  0.5513 0.5577000      1.103000  
1 1 1 25 10 22 o 6.3560  0.4153 -0.6237000E-01 0.8307000 
1 1 1 25 10 23 f 12.910  0.2746 0.9271000      0.5492000 
1 1 1 25 10 24 f 4.0020  0.7060 -0.5432000     1.412000  
1 1 1 25 10 25 o 6.1220  0.4091 -0.1095000     0.8183000 
1 1 1 25 10 26 o 6.8460  0.3700 0.3651000      0.7399000 
1 1 1 25 10 27 o 3.1410  0.6840 0.3517000      1.368000  
1 1 1 25 10 28 o 6.1370  0.4065 -0.3421000     0.8130000 
1 1 1 25 10 29 o 7.7000  0.3155 0.4475000      0.6310000 
1 1 1 25 10 30 o 9.9420  0.2639 0.1232000      0.5277000 
1 1 1 25 10 31 o 7.3250  0.3895 0.6985000      0.7791000 
1 1 1 25 10 32 o 9.9230  0.2783 -0.6155000     0.5566000 
1 1 1 25 10 33 o 2.4710  0.6621 -0.1194000     1.324000  
1 1 1 25 10 34 o 3.4580  0.6719 -0.8163000     1.344000  
1 1 1 25 10 35 o 8.8060  0.3427 0.3940000E-01  0.6853000 
1 1 1 25 10 36 o 6.1530  0.5453 1.156000       1.091000  
1 1 1 25 10 37 o 3.6140  0.7118 0.2161000      1.424000  
1 1 1 25 10 38 o 2.8540  0.6909 -1.965000      1.382000  
1 1 1 25 10 39 o 4.6080  0.4950 -0.6810000     0.9899000 
1 1 1 25 10 40 o 3.4890  0.5226 2.950000       1.045000  
1 1 1 25 10 41 o 2.2030  0.6001 0.5068000      1.200000  
1 1 1 25 10 42 o 7.8390  0.2810 0.5140000      0.5620000 
1 1 1 25 10 43 o 8.1030  0.2648 -0.1147000     0.5296000 
1 1 1 25 10 44 o 2.0830  0.5801 0.2879000      1.160000  
1 1 1 25 10 45 o 1.9950  0.5707 0.2701000      1.141000  
1 1 1 25 10 46 o 5.6400  0.3495 -1.098000      0.6989000 
1 1 1 25 10 47 o 1.9900  0.5812 -0.7734000     1.162000  
1 1 1 25 10 48 o 2.5570  0.6355 -1.092000      1.271000  
1 1 1 25 10 49 o 2.7370  0.6370 -0.5046000     1.274000  
1 1 1 25 10 50 o 2.9890  0.5946 0.6692000      1.189000  
1 1 1 25 10 51 o 2.4910  0.6433 -0.7860000     1.287000  
1 1 1 25 10 52 o 5.5540  0.5067 2.244000       1.013000  
1 1 1 25 10 53 o 1.7970  0.7564 ?              ?         
1 1 1 25 11 0  o 2.4770  1.2460 0.000000       0.000000  
1 1 1 25 11 1  o 8.3360  0.3474 0.9857000      0.6947000 
1 1 1 25 11 2  o 3.6460  0.7102 0.3302000      1.420000  
1 1 1 25 11 3  o 7.4430  0.3762 0.9538000E-01  0.7525000 
1 1 1 25 11 4  o 7.4860  0.3720 -0.4510000E-01 0.7440000 
1 1 1 25 11 5  o 3.3210  0.6517 2.120000       1.303000  
1 1 1 25 11 6  o 9.7710  0.3180 0.8692000      0.6361000 
1 1 1 25 11 7  o 7.5890  0.3989 0.3178000      0.7978000 
1 1 1 25 11 8  o 7.7840  0.3855 -0.5281000     0.7709000 
1 1 1 25 11 9  o 9.4190  0.3624 -0.9941000E-01 0.7249000 
1 1 1 25 11 10 o 10.220  0.3384 1.185000       0.6767000 
1 1 1 25 11 11 o 2.7800  0.7454 -1.127000      1.491000  
1 1 1 25 11 12 o 9.2180  0.3410 -0.3646000     0.6819000 
1 1 1 25 11 13 o 9.4660  0.4426 0.5943000      0.8852000 
1 1 1 25 11 14 o 8.5980  0.4752 0.4904000      0.9504000 
1 1 1 25 11 15 o 5.5780  0.6052 0.2652000      1.210000  
1 1 1 25 11 16 o 8.6660  0.3152 0.7415000      0.6305000 
1 1 1 25 11 17 o 13.730  0.2620 1.178000       0.5240000 
1 1 1 25 11 18 o 6.5810  0.4220 1.391000       0.8440000 
1 1 1 25 11 19 f 7.7590  0.3432 -0.9659000     0.6865000 
1 1 1 25 11 20 o 7.2160  0.4022 0.3498000      0.8044000 
1 1 1 25 11 21 o 3.7660  0.6692 0.6138000      1.338000  
1 1 1 25 11 22 o 11.080  0.2543 -0.2316000     0.5087000 
1 1 1 25 11 23 o 2.3460  0.6479 -0.5533000     1.296000  
1 1 1 25 11 24 o 6.7090  0.3827 0.9047000E-01  0.7655000 
1 1 1 25 11 25 o 2.3420  0.6504 -1.344000      1.301000  
1 1 1 25 11 26 o 3.1890  0.6887 -0.5870000     1.377000  
1 1 1 25 11 27 o 8.8030  0.3019 0.4052000      0.6038000 
1 1 1 25 11 28 o 1.6630  0.5461 -0.4552000     1.092000  
1 1 1 25 11 29 o 2.5750  0.6476 -1.398000      1.295000  
1 1 1 25 11 30 o 3.7620  0.6160 0.3824000      1.232000  
1 1 1 25 11 31 o 2.8620  0.6652 0.4165000      1.330000  
1 1 1 25 11 32 o 9.5650  0.2619 0.2001000E-01  0.5238000 
1 1 1 25 11 33 o 2.1540  0.6434 -0.1862000     1.287000  
1 1 1 25 11 34 o 5.5040  0.5242 0.4065000      1.048000  
1 1 1 25 11 35 o 10.610  0.3247 -0.7837000E-01 0.6493000 
1 1 1 25 11 36 o 2.0870  0.6505 -0.9670000E-01 1.301000  
1 1 1 25 11 37 o 6.0620  0.5253 1.027000       1.051000  
1 1 1 25 11 38 o 1.7410  0.5614 0.7763000E-01  1.123000  
1 1 1 25 11 39 o 2.3150  0.6289 1.167000       1.258000  
1 1 1 25 11 40 o 3.8090  0.5709 1.119000       1.142000  
1 1 1 25 11 41 o 2.1100  0.6102 -0.5299000     1.220000  
1 1 1 25 11 42 o 3.6350  0.5635 0.7479000      1.127000  
1 1 1 25 11 43 o 2.8580  0.5309 1.776000       1.062000  
1 1 1 25 11 44 o 2.2230  0.6055 -0.8461000E-01 1.211000  
1 1 1 25 11 45 o 4.1710  0.5415 2.528000       1.083000  
1 1 1 25 11 46 o 2.2020  0.5543 0.6931000      1.109000  
1 1 1 25 11 47 o 3.1320  0.5447 0.8962000      1.089000  
1 1 1 25 11 48 o 1.6110  0.5193 -1.221000      1.039000  
1 1 1 25 11 49 o 5.7170  0.3251 -0.6003000     0.6503000 
1 1 1 25 11 50 o 3.4300  0.5243 1.420000       1.049000  
1 1 1 25 11 51 o 3.8230  0.6179 1.024000       1.236000  
1 1 1 25 11 52 o 2.3770  0.6492 0.7718000      1.298000  
1 1 1 25 12 0  o 10.030  0.4174 0.000000       0.000000  
1 1 1 25 12 1  o 8.8650  0.3235 0.7798000      0.6470000 
1 1 1 25 12 2  o 4.0710  0.6656 0.3935000      1.331000  
1 1 1 25 12 3  o 6.4060  0.4339 1.205000       0.8678000 
1 1 1 25 12 4  o 5.6490  0.4803 -0.7374000     0.9607000 
1 1 1 25 12 5  o 4.0350  0.6521 0.3543000      1.304000  
1 1 1 25 12 6  o 8.6550  0.3136 -0.3307000     0.6272000 
1 1 1 25 12 7  o 2.2450  0.6423 1.078000       1.285000  
1 1 1 25 12 8  o 2.5490  0.6979 0.3410000E-01  1.396000  
1 1 1 25 12 9  o 2.4020  0.7014 -0.2603000     1.403000  
1 1 1 25 12 10 o 4.5920  0.6451 -0.4318000     1.290000  
1 1 1 25 12 11 o 9.4750  0.3233 0.2077000      0.6466000 
1 1 1 25 12 12 o 3.2740  0.7795 0.4803000      1.559000  
1 1 1 25 12 13 o 8.9410  0.3930 1.137000       0.7861000 
1 1 1 25 12 14 o 2.5260  0.6960 -1.027000      1.392000  
1 1 1 25 12 15 o 3.3850  0.7319 -0.9394000     1.464000  
1 1 1 25 12 16 o 6.2570  0.4134 -1.143000      0.8269000 
1 1 1 25 12 17 o 6.1700  0.4753 -0.5394000     0.9505000 
1 1 1 25 12 18 o 8.4380  0.3571 -0.1290000     0.7142000 
1 1 1 25 12 19 o 3.3630  0.6861 1.280000       1.372000  
1 1 1 25 12 20 o 3.2030  0.6443 0.8912000      1.289000  
1 1 1 25 12 21 o 2.4580  0.6514 0.5398000      1.303000  
1 1 1 25 12 22 o 5.7820  0.4377 0.8334000      0.8755000 
1 1 1 25 12 23 o 4.0750  0.5661 -1.957000      1.132000  
1 1 1 25 12 24 o 8.4300  0.3030 -0.1247000     0.6059000 
1 1 1 25 12 25 o 4.3410  0.5356 0.9200000      1.071000  
1 1 1 25 12 26 o 1.9040  0.6217 -0.5077000     1.243000  
1 1 1 25 12 27 o 3.2510  0.6790 -0.8925000     1.358000  
1 1 1 25 12 28 o 8.8310  0.3516 -0.2033000     0.7031000 
1 1 1 25 12 29 o 1.9420  0.6021 -0.8904000     1.204000  
1 1 1 25 12 30 o 4.1830  0.5877 0.7857000      1.175000  
1 1 1 25 12 31 o 8.4350  0.3090 1.042000       0.6180000 
1 1 1 25 12 32 o 2.5240  0.6487 0.7871000      1.297000  
1 1 1 25 12 33 o 2.8080  0.7365 0.2444000      1.473000  
1 1 1 25 12 34 o 3.1990  0.7560 0.9666000      1.512000  
1 1 1 25 12 35 o 2.9450  0.7847 -0.5087000     1.569000  
1 1 1 25 12 36 o 5.2390  0.6696 -0.2882000     1.339000  
1 1 1 25 12 37 o 5.8070  0.4872 -0.4591000     0.9745000 
1 1 1 25 12 38 o 4.9730  0.5030 1.279000       1.006000  
1 1 1 25 12 39 o 5.6060  0.4232 -0.8850000     0.8464000 
1 1 1 25 12 40 o 2.1580  0.5885 -1.185000      1.177000  
1 1 1 25 12 41 o 3.6360  0.5308 -0.6221000     1.062000  
1 1 1 25 12 42 o 2.8030  0.4762 2.210000       0.9525000 
1 1 1 25 12 43 o 4.4860  0.4165 -1.018000      0.8329000 
1 1 1 25 12 44 o 4.0660  0.4615 -0.3129000     0.9231000 
1 1 1 25 12 45 o 5.3840  0.3292 -1.213000      0.6583000 
1 1 1 25 12 46 o 3.6510  0.6009 -0.7435000     1.202000  
1 1 1 25 12 47 o 2.6180  0.6557 0.1354000      1.311000  
1 1 1 25 12 48 o 2.1030  0.5945 1.023000       1.189000  
1 1 1 25 12 49 o 3.4470  0.6140 1.359000       1.228000  
1 1 1 25 12 50 o 4.0750  0.5741 -1.738000      1.148000  
1 1 1 25 12 51 o 2.0700  0.6170 -0.6808000     1.234000  
1 1 1 25 13 0  o 17.120  0.2533 0.000000       0.000000  
1 1 1 25 13 1  o 7.9300  0.3034 0.1713000      0.6068000 
1 1 1 25 13 2  o 8.2830  0.3102 1.245000       0.6204000 
1 1 1 25 13 3  o 9.9270  0.2621 -0.4388000     0.5241000 
1 1 1 25 13 4  o 6.2360  0.3971 1.061000       0.7942000 
1 1 1 25 13 5  o 9.5410  0.2659 0.1641000E-01  0.5317000 
1 1 1 25 13 6  f 4.7910  0.5126 0.4661000      1.025000  
1 1 1 25 13 7  o 2.8580  0.6506 1.087000       1.301000  
1 1 1 25 13 8  o 14.310  0.2197 0.2082000      0.4394000 
1 1 1 25 13 9  o 11.320  0.2536 0.3801000      0.5072000 
1 1 1 25 13 10 o 12.240  0.2424 -0.7662000     0.4848000 
1 1 1 25 13 11 o 4.0900  0.7582 0.7287000      1.516000  
1 1 1 25 13 12 o 7.8730  0.4325 -2.424000      0.8651000 
1 1 1 25 13 13 o 6.0490  0.4913 0.2191000      0.9825000 
1 1 1 25 13 14 o 5.0480  0.5368 -1.817000      1.074000  
1 1 1 25 13 15 o 2.4230  0.6419 -1.313000      1.284000  
1 1 1 25 13 16 o 5.0180  0.5125 1.481000       1.025000  
1 1 1 25 13 17 o 2.0020  0.6360 -0.6917000     1.272000  
1 1 1 25 13 18 o 7.6490  0.3718 0.2898000      0.7436000 
1 1 1 25 13 19 o 4.8800  0.5955 1.399000       1.191000  
1 1 1 25 13 20 o 8.6510  0.2758 0.1760000      0.5517000 
1 1 1 25 13 21 o 3.0140  0.6491 -0.8009000     1.298000  
1 1 1 25 13 22 o 7.2480  0.3109 -0.1827000     0.6217000 
1 1 1 25 13 23 o 3.2630  0.5956 0.3211000      1.191000  
1 1 1 25 13 24 o 6.0630  0.3652 0.1431000      0.7304000 
1 1 1 25 13 25 o 8.3130  0.3025 0.5250000E-01  0.6050000 
1 1 1 25 13 26 o 7.0770  0.3377 1.336000       0.6755000 
1 1 1 25 13 27 o 1.8140  0.5622 0.1174000      1.124000  
1 1 1 25 13 28 o 4.4290  0.5103 1.451000       1.021000  
1 1 1 25 13 29 o 2.4860  0.6310 -0.5059000     1.262000  
1 1 1 25 13 30 o 4.8740  0.4214 -0.6931000     0.8429000 
1 1 1 25 13 31 o 4.4140  0.4880 0.4025000      0.9761000 
1 1 1 25 13 32 o 5.4930  0.5406 0.1068000E-01  1.081000  
1 1 1 25 13 33 o 2.9440  1.1550 ?              ?         
1 1 1 25 13 34 o 4.9370  0.6136 0.7871000      1.227000  
1 1 1 25 13 35 o 2.4680  0.6739 -1.814000      1.348000  
1 1 1 25 13 36 o 2.9760  0.6441 -0.3828000     1.288000  
1 1 1 25 13 37 o 2.6090  0.6158 -0.4564000     1.232000  
1 1 1 25 13 38 o 4.4060  0.4634 0.4950000      0.9269000 
1 1 1 25 13 39 o 6.9090  0.2955 0.7321000      0.5910000 
1 1 1 25 13 40 o 3.3530  0.5163 -0.3895000     1.033000  
1 1 1 25 13 41 o 3.0620  0.5322 0.5904000E-01  1.064000  
1 1 1 25 13 42 o 2.4270  0.5815 -0.9339000E-01 1.163000  
1 1 1 25 13 43 o 3.9050  0.5666 1.431000       1.133000  
1 1 1 25 13 44 o 2.9390  0.6291 0.9941000      1.258000  
1 1 1 25 13 45 o 4.4590  0.5198 0.2049000      1.040000  
1 1 1 25 13 46 o 3.4110  0.6067 -1.669000      1.213000  
1 1 1 25 13 47 o 2.5350  0.5969 -1.891000      1.194000  
1 1 1 25 13 48 o 3.7360  0.7264 0.3806000      1.453000  
1 1 1 25 13 49 o 2.4460  0.7013 -0.1499000     1.403000  
1 1 1 25 13 50 o 2.6380  0.7149 -0.3565000     1.430000  
1 1 1 25 14 0  o 1.4990  0.9472 0.000000       0.000000  
1 1 1 25 14 1  f 7.6480  0.3131 -0.1578000     0.6262000 
1 1 1 25 14 2  o 7.9450  0.3044 0.8107000E-01  0.6087000 
1 1 1 25 14 3  o 5.0090  0.4722 -0.3722000     0.9445000 
1 1 1 25 14 4  o 2.5820  0.6687 0.5726000E-01  1.337000  
1 1 1 25 14 5  o 7.5270  0.3231 0.2596000      0.6462000 
1 1 1 25 14 6  o 2.1290  0.6279 0.1907000      1.256000  
1 1 1 25 14 7  o 4.9130  0.4878 -0.8403000     0.9755000 
1 1 1 25 14 8  o 3.4920  0.6781 -0.5476000     1.356000  
1 1 1 25 14 9  o 5.8970  0.4428 0.3398000      0.8855000 
1 1 1 25 14 10 o 6.6150  0.4114 0.3394000E-01  0.8229000 
1 1 1 25 14 11 o 5.4460  0.6083 -0.9714000E-01 1.217000  
1 1 1 25 14 12 f 6.0320  0.4655 -0.5524000     0.9309000 
1 1 1 25 14 13 o 3.6450  0.6756 2.570000       1.351000  
1 1 1 25 14 14 o 9.8230  0.2789 -0.4325000     0.5578000 
1 1 1 25 14 15 o 5.7390  0.4349 1.218000       0.8698000 
1 1 1 25 14 16 o 9.5170  0.2695 1.232000       0.5389000 
1 1 1 25 14 17 o 9.9380  0.2947 -0.1306000     0.5893000 
1 1 1 25 14 18 o 4.8550  0.5928 1.317000       1.186000  
1 1 1 25 14 19 o 11.060  0.2316 0.7029000E-01  0.4632000 
1 1 1 25 14 20 o 4.7920  0.5022 1.262000       1.004000  
1 1 1 25 14 21 o 2.6460  0.6433 -1.024000      1.287000  
1 1 1 25 14 22 o 9.5610  0.2554 1.323000       0.5109000 
1 1 1 25 14 23 o 4.5280  0.5321 -0.2852000     1.064000  
1 1 1 25 14 24 o 1.8250  0.5666 0.2187000      1.133000  
1 1 1 25 14 25 o 5.7500  0.4655 1.292000       0.9309000 
1 1 1 25 14 26 o 2.9930  0.5603 1.696000       1.121000  
1 1 1 25 14 27 o 3.5410  0.5609 -0.6667000     1.122000  
1 1 1 25 14 28 o 4.0720  0.5141 1.105000       1.028000  
1 1 1 25 14 29 o 5.2090  0.3965 -0.5453000     0.7930000 
1 1 1 25 14 30 o 1.8590  0.5716 0.4831000E-01  1.143000  
1 1 1 25 14 31 o 5.7050  0.4118 -1.373000      0.8236000 
1 1 1 25 14 32 o 3.1210  0.7580 -0.3564000     1.516000  
1 1 1 25 14 33 o 2.0480  0.6292 -0.9014000     1.258000  
1 1 1 25 14 34 o 2.3940  0.6764 -1.204000      1.353000  
1 1 1 25 14 35 o 3.8920  0.5854 0.8958000      1.171000  
1 1 1 25 14 36 o 4.5070  0.4360 -0.9970000     0.8720000 
1 1 1 25 14 37 o 4.8340  0.4534 1.461000       0.9067000 
1 1 1 25 14 38 o 1.9080  0.5598 -0.3274000     1.120000  
1 1 1 25 14 39 o 5.8110  0.3313 0.1677000      0.6627000 
1 1 1 25 14 40 o 2.3930  0.6015 0.9122000      1.203000  
1 1 1 25 14 41 o 4.0660  0.4388 -0.7641000     0.8776000 
1 1 1 25 14 42 o 3.0450  0.6300 -1.315000      1.260000  
1 1 1 25 14 43 o 1.7870  0.5884 -0.1777000     1.177000  
1 1 1 25 14 44 o 3.2530  0.7410 1.137000       1.482000  
1 1 1 25 14 45 o 5.7940  0.5083 0.3251000      1.017000  
1 1 1 25 14 46 o 4.3900  0.6597 0.7647000      1.319000  
1 1 1 25 14 47 o 3.1310  0.7424 0.2448000      1.485000  
1 1 1 25 14 48 o 2.4180  0.6381 -0.5613000     1.276000  
1 1 1 25 14 49 o 2.2230  0.6275 -0.3754000     1.255000  
1 1 1 25 15 0  o 10.190  0.3578 0.000000       0.000000  
1 1 1 25 15 1  o 3.9550  0.6094 0.3341000      1.219000  
1 1 1 25 15 2  o 2.6680  0.6567 0.5532000      1.313000  
1 1 1 25 15 3  o 3.5530  0.6336 -0.1134000     1.267000  
1 1 1 25 15 4  o 11.500  0.2257 -0.3853000E-01 0.4514000 
1 1 1 25 15 5  o 5.9350  0.3993 0.5546000      0.7986000 
1 1 1 25 15 6  o 2.8280  0.6438 1.006000       1.288000  
1 1 1 25 15 7  o 2.8860  0.6965 0.2105000      1.393000  
1 1 1 25 15 8  o 10.210  0.2688 1.095000       0.5375000 
1 1 1 25 15 9  o 7.0590  0.3906 1.139000       0.7812000 
1 1 1 25 15 10 o 7.8120  0.4383 1.367000       0.8765000 
1 1 1 25 15 11 o 2.0110  0.6287 -0.5523000     1.257000  
1 1 1 25 15 12 o 2.9070  0.6907 0.3157000      1.381000  
1 1 1 25 15 13 o 3.2110  0.9780 ?              ?         
1 1 1 25 15 14 o 5.9690  0.4205 0.3469000      0.8410000 
1 1 1 25 15 15 o 9.0000  0.2926 0.8171000      0.5853000 
1 1 1 25 15 16 o 3.4510  0.5951 1.561000       1.190000  
1 1 1 25 15 17 o 4.6450  0.5540 -0.8478000     1.108000  
1 1 1 25 15 18 o 5.3210  0.5301 0.7798000      1.060000  
1 1 1 25 15 19 o 7.6790  0.3085 0.2506000      0.6171000 
1 1 1 25 15 20 o 7.6050  0.3110 0.9197000      0.6219000 
1 1 1 25 15 21 o 8.0120  0.2905 0.5632000      0.5810000 
1 1 1 25 15 22 o 6.5340  0.3703 0.4645000      0.7406000 
1 1 1 25 15 23 o 3.9770  0.5978 0.2634000      1.196000  
1 1 1 25 15 24 o 4.0830  0.5521 1.020000       1.104000  
1 1 1 25 15 25 o 5.9140  0.4049 0.6904000      0.8098000 
1 1 1 25 15 26 o 3.5620  0.5535 0.4376000      1.107000  
1 1 1 25 15 27 o 3.2330  0.6076 -0.5804000     1.215000  
1 1 1 25 15 28 o 3.3360  0.6071 0.4490000      1.214000  
1 1 1 25 15 29 o 1.7920  0.5567 0.5538000E-01  1.113000  
1 1 1 25 15 30 o 2.1000  0.6547 -1.354000      1.309000  
1 1 1 25 15 31 o 8.0640  0.3791 0.5966000      0.7581000 
1 1 1 25 15 32 o 2.0220  0.6256 0.1357000      1.251000  
1 1 1 25 15 33 o 3.5550  0.6868 0.1478000      1.374000  
1 1 1 25 15 34 o 1.9460  0.5935 -0.8778000     1.187000  
1 1 1 25 15 35 o 5.0570  0.3829 -0.8149000     0.7659000 
1 1 1 25 15 36 o 1.9220  0.5658 -0.8306000     1.132000  
1 1 1 25 15 37 o 3.1420  0.5102 1.876000       1.020000  
1 1 1 25 15 38 o 6.4950  0.3116 0.3208000      0.6233000 
1 1 1 25 15 39 o 3.2250  0.5023 1.877000       1.005000  
1 1 1 25 15 40 o 2.9800  0.7396 0.2754000      1.479000  
1 1 1 25 15 41 o 6.0650  0.4795 1.181000       0.9589000 
1 1 1 25 15 42 o 2.1400  0.6653 0.5834000      1.331000  
1 1 1 25 15 43 o 5.2460  0.5654 0.2160000      1.131000  
1 1 1 25 15 44 o 4.4230  0.4907 -0.7348000     0.9813000 
1 1 1 25 15 45 o 1.6790  0.5384 0.1474000      1.077000  
1 1 1 25 15 46 o 2.3990  0.6116 -1.494000      1.223000  
1 1 1 25 15 47 o 2.4580  0.6116 0.6108000      1.223000  
1 1 1 25 15 48 o 4.6160  0.4634 -1.204000      0.9268000 
1 1 1 25 16 0  o 1.4510  0.9398 0.000000       0.000000  
1 1 1 25 16 1  o 6.5250  0.3700 0.3794000      0.7399000 
1 1 1 25 16 2  o 3.0960  0.6747 0.8723000E-01  1.349000  
1 1 1 25 16 3  o 6.8090  0.3353 -0.3244000     0.6707000 
1 1 1 25 16 4  o 4.6870  0.5009 0.6739000      1.002000  
1 1 1 25 16 5  o 3.2810  0.6457 -0.3627000     1.291000  
1 1 1 25 16 6  o 5.5750  0.4504 1.056000       0.9008000 
1 1 1 25 16 7  o 3.9130  0.6261 0.9487000      1.252000  
1 1 1 25 16 8  o 7.4670  0.3534 0.7012000E-02  0.7067000 
1 1 1 25 16 9  o 3.2150  0.7325 -1.985000      1.465000  
1 1 1 25 16 10 o 3.2170  0.6915 -0.9958000     1.383000  
1 1 1 25 16 11 o 2.9230  0.6437 -1.276000      1.287000  
1 1 1 25 16 12 o 4.1280  0.5547 0.2456000      1.109000  
1 1 1 25 16 13 o 3.4330  0.6448 -1.959000      1.290000  
1 1 1 25 16 14 o 2.4120  0.6938 0.4839000      1.388000  
1 1 1 25 16 15 o 3.3040  0.6478 -1.225000      1.296000  
1 1 1 25 16 16 o 3.2830  0.6223 1.680000       1.245000  
1 1 1 25 16 17 o 4.7220  0.5867 1.251000       1.173000  
1 1 1 25 16 18 o 5.6800  0.5047 1.225000       1.009000  
1 1 1 25 16 19 o 9.7390  0.2588 0.6889000      0.5176000 
1 1 1 25 16 20 o 5.3930  0.4228 0.6578000      0.8456000 
1 1 1 25 16 21 o 1.5470  0.5291 -0.2015000     1.058000  
1 1 1 25 16 22 o 2.1630  0.5834 1.369000       1.167000  
1 1 1 25 16 23 o 3.4740  0.6631 0.2049000      1.326000  
1 1 1 25 16 24 o 7.1850  0.2912 0.7297000      0.5824000 
1 1 1 25 16 25 o 2.8450  0.6095 -0.6026000     1.219000  
1 1 1 25 16 26 o 3.8540  0.5264 1.433000       1.053000  
1 1 1 25 16 27 o 4.6040  0.4356 0.1708000      0.8712000 
1 1 1 25 16 28 o 2.6550  0.6230 -0.7439000     1.246000  
1 1 1 25 16 29 o 8.3740  0.2608 -0.2507000E-01 0.5215000 
1 1 1 25 16 30 o 3.5140  0.6433 0.5968000E-01  1.287000  
1 1 1 25 16 31 o 2.7450  0.6924 -0.1637000     1.385000  
1 1 1 25 16 32 o 4.5990  0.5479 0.2350000      1.096000  
1 1 1 25 16 33 o 2.2230  0.6470 -0.2798000     1.294000  
1 1 1 25 16 34 o 6.4820  0.3145 0.5083000      0.6290000 
1 1 1 25 16 35 o 5.0370  0.4128 1.029000       0.8256000 
1 1 1 25 16 36 o 4.3710  0.4456 0.1468000      0.8912000 
1 1 1 25 16 37 o 2.7370  0.5274 1.177000       1.055000  
1 1 1 25 16 38 o 8.3220  0.2685 0.9803000      0.5370000 
1 1 1 25 16 39 f 5.3890  0.5620 -0.3956000     1.124000  
1 1 1 25 16 40 o 4.8420  0.6088 2.836000       1.218000  
1 1 1 25 16 41 o 2.5290  0.6421 -0.3083000     1.284000  
1 1 1 25 16 42 o 4.2610  0.5055 -0.5542000     1.011000  
1 1 1 25 16 43 o 2.7240  0.5999 1.010000       1.200000  
1 1 1 25 16 44 o 1.6990  0.5471 -0.4419000     1.094000  
1 1 1 25 16 45 o 2.2110  0.6152 -0.9398000     1.230000  
1 1 1 25 16 46 o 3.7360  0.5753 0.5340000      1.151000  
1 1 1 25 16 47 o 1.9890  0.5926 -0.9250000E-01 1.185000  
1 1 1 25 17 0  o 3.8920  0.9685 0.000000       0.000000  
1 1 1 25 17 1  o 3.7110  0.6209 -0.9053000     1.242000  
1 1 1 25 17 2  o 3.2480  0.6619 -0.5016000     1.324000  
1 1 1 25 17 3  o 6.5380  0.3667 -0.8709000     0.7334000 
1 1 1 25 17 4  o 6.0440  0.4007 1.300000       0.8013000 
1 1 1 25 17 5  o 5.1550  0.4801 -0.4081000     0.9602000 
1 1 1 25 17 6  o 9.3490  0.2815 0.7669000E-01  0.5629000 
1 1 1 25 17 7  o 4.1520  0.6415 -1.737000      1.283000  
1 1 1 25 17 8  o 4.0040  0.7002 -0.6265000     1.400000  
1 1 1 25 17 9  o 5.5380  0.4654 0.1502000      0.9308000 
1 1 1 25 17 10 o 5.6870  0.4382 -0.3346000     0.8765000 
1 1 1 25 17 11 o 4.0670  0.5549 0.2647000      1.110000  
1 1 1 25 17 12 o 1.9490  0.5711 0.7820000      1.142000  
1 1 1 25 17 13 o 4.6940  0.5126 0.5303000      1.025000  
1 1 1 25 17 14 o 3.6760  0.6386 -2.048000      1.277000  
1 1 1 25 17 15 o 5.5050  0.4397 0.6869000E-01  0.8795000 
1 1 1 25 17 16 o 2.5560  0.6379 -0.9511000     1.276000  
1 1 1 25 17 17 o 5.8020  0.4708 0.5657000      0.9417000 
1 1 1 25 17 18 o 5.7630  0.4570 -0.4469000     0.9141000 
1 1 1 25 17 19 o 8.7660  0.3452 0.9041000      0.6905000 
1 1 1 25 17 20 o 3.6740  0.6333 -0.6503000     1.267000  
1 1 1 25 17 21 o 4.3260  0.5175 0.8185000E-01  1.035000  
1 1 1 25 17 22 o 2.8410  0.6889 -1.575000      1.378000  
1 1 1 25 17 23 o 3.9360  0.5184 -1.523000      1.037000  
1 1 1 25 17 24 o 5.7060  0.3678 0.5045000      0.7356000 
1 1 1 25 17 25 o 5.3690  0.3736 0.1281000      0.7472000 
1 1 1 25 17 26 f 2.9590  0.5977 -0.1023000     1.195000  
1 1 1 25 17 27 o 7.4840  0.2714 0.3004000      0.5428000 
1 1 1 25 17 28 o 5.3790  0.3782 -0.9054000     0.7563000 
1 1 1 25 17 29 f 4.8260  0.4805 0.6944000      0.9609000 
1 1 1 25 17 30 o 2.7720  0.6330 -0.5417000     1.266000  
1 1 1 25 17 31 o 2.0790  0.5890 0.7094000E-01  1.178000  
1 1 1 25 17 32 o 2.9130  0.8043 -0.4961000     1.609000  
1 1 1 25 17 33 o 2.4440  0.6726 -0.2625000     1.345000  
1 1 1 25 17 34 f 4.2110  0.5406 0.6192000      1.081000  
1 1 1 25 17 35 o 5.2330  0.3601 -0.6962000     0.7202000 
1 1 1 25 17 36 o 1.2290  0.4336 -0.5599000     0.8671000 
1 1 1 25 17 37 o 1.9710  0.5396 0.7818000      1.079000  
1 1 1 25 17 38 o 3.7940  0.5089 -2.556000      1.018000  
1 1 1 25 17 39 o 2.4540  0.6914 -0.5313000     1.383000  
1 1 1 25 17 40 o 2.3330  0.6201 -1.030000      1.240000  
1 1 1 25 17 41 o 1.8710  0.5764 -0.4095000     1.153000  
1 1 1 25 17 42 o 3.6240  0.5813 0.3594000      1.163000  
1 1 1 25 17 43 o 2.0640  0.6022 -0.3076000E-01 1.204000  
1 1 1 25 17 44 o 3.3330  0.6144 0.9929000E-01  1.229000  
1 1 1 25 17 45 o 2.9450  0.6360 -0.7996000     1.272000  
1 1 1 25 18 0  o 2.3740  1.1450 0.000000       0.000000  
1 1 1 25 18 1  o 2.2340  0.6281 -0.7587000     1.256000  
1 1 1 25 18 2  o 3.2350  0.6245 1.400000       1.249000  
1 1 1 25 18 3  o 2.8790  0.6494 0.8547000      1.299000  
1 1 1 25 18 4  o 1.9600  0.6026 -0.2239000     1.205000  
1 1 1 25 18 5  o 2.4820  0.6765 -0.3113000     1.353000  
1 1 1 25 18 6  o 6.3950  0.4137 -0.4072000     0.8275000 
1 1 1 25 18 7  o 3.1680  0.7359 -0.6051000     1.472000  
1 1 1 25 18 8  o 6.1540  0.4006 0.5047000E-01  0.8012000 
1 1 1 25 18 9  o 7.7070  0.3253 -0.2874000     0.6506000 
1 1 1 25 18 10 o 5.7950  0.3847 0.1781000      0.7693000 
1 1 1 25 18 11 o 2.9880  0.6415 -0.3546000     1.283000  
1 1 1 25 18 12 o 6.1550  0.3626 1.023000       0.7253000 
1 1 1 25 18 13 o 5.0680  0.4268 -0.6812000     0.8537000 
1 1 1 25 18 14 o 3.9740  0.6647 1.185000       1.329000  
1 1 1 25 18 15 o 6.0550  0.4602 0.4944000E-01  0.9204000 
1 1 1 25 18 16 o 5.4680  0.4396 -0.5328000     0.8792000 
1 1 1 25 18 17 o 6.7620  0.3369 -0.9848000     0.6737000 
1 1 1 25 18 18 o 7.2720  0.4541 0.7942000      0.9081000 
1 1 1 25 18 19 f 2.9720  0.6848 -1.766000      1.370000  
1 1 1 25 18 20 o 1.7880  0.5869 -0.6695000     1.174000  
1 1 1 25 18 21 o 4.7730  0.5014 2.084000       1.003000  
1 1 1 25 18 22 o 3.0530  0.5875 0.8488000      1.175000  
1 1 1 25 18 23 o 4.7040  0.4273 0.4906000E-01  0.8547000 
1 1 1 25 18 24 o 2.5360  0.6003 0.6033000      1.201000  
1 1 1 25 18 25 o 7.1220  0.2882 0.4417000      0.5764000 
1 1 1 25 18 26 o 2.5100  0.5757 -1.573000      1.151000  
1 1 1 25 18 27 o 3.9500  0.5686 -0.9536000     1.137000  
1 1 1 25 18 28 o 3.5560  0.6031 -0.3696000     1.206000  
1 1 1 25 18 29 o 3.6920  0.5338 2.583000       1.068000  
1 1 1 25 18 30 o 6.0480  0.3669 1.047000       0.7339000 
1 1 1 25 18 31 o 4.0290  0.4978 0.8629000      0.9956000 
1 1 1 25 18 32 o 1.8110  0.5506 -0.3042000     1.101000  
1 1 1 25 18 33 o 2.1230  0.5602 1.330000       1.120000  
1 1 1 25 18 34 o 6.2200  0.5109 1.409000       1.022000  
1 1 1 25 18 35 o 2.0260  0.5452 0.6396000      1.090000  
1 1 1 25 18 36 o 2.1460  0.6154 -1.066000      1.231000  
1 1 1 25 18 37 o 4.3610  0.5345 -0.2384000     1.069000  
1 1 1 25 18 38 o 2.4120  0.5886 0.4206000      1.177000  
1 1 1 25 18 39 f 2.0360  0.5763 0.7091000      1.153000  
1 1 1 25 18 40 o 3.8750  0.5602 1.529000       1.120000  
1 1 1 25 18 41 o 6.7840  0.3380 0.3502000      0.6760000 
1 1 1 25 18 42 o 5.0870  0.4550 0.8869000      0.9099000 
1 1 1 25 18 43 o 2.1860  0.6184 -0.1326000E-01 1.237000  
1 1 1 25 18 44 o 2.3680  0.6262 -1.244000      1.252000  
1 1 1 25 19 0  o 7.6790  0.4504 0.000000       0.000000  
1 1 1 25 19 1  o 4.7580  0.5007 -0.4703000     1.001000  
1 1 1 25 19 2  o 1.7990  0.5743 0.2617000      1.149000  
1 1 1 25 19 3  o 3.9180  0.5901 0.7289000      1.180000  
1 1 1 25 19 4  o 2.5410  0.6762 -0.5241000     1.352000  
1 1 1 25 19 5  o 10.070  0.3039 0.5164000      0.6079000 
1 1 1 25 19 6  o 5.9980  0.4938 -0.9640000     0.9875000 
1 1 1 25 19 7  o 3.6600  0.6103 1.543000       1.221000  
1 1 1 25 19 8  o 1.9220  0.5987 -0.2242000     1.197000  
1 1 1 25 19 9  o 6.7810  0.3241 -0.4102000     0.6482000 
1 1 1 25 19 10 o 5.8580  0.3733 0.4477000      0.7466000 
1 1 1 25 19 11 o 1.9970  0.5960 -0.1336000     1.192000  
1 1 1 25 19 12 o 4.3450  0.4898 -0.7392000     0.9795000 
1 1 1 25 19 13 o 8.2210  0.2716 -0.1654000     0.5432000 
1 1 1 25 19 14 o 3.5090  0.5824 0.8953000      1.165000  
1 1 1 25 19 15 o 4.2450  0.6433 0.3605000      1.287000  
1 1 1 25 19 16 f 3.9340  0.6673 1.966000       1.335000  
1 1 1 25 19 17 o 3.0460  0.7134 1.435000       1.427000  
1 1 1 25 19 18 o 6.5090  0.4095 -0.1128000     0.8189000 
1 1 1 25 19 19 o 2.7130  0.6794 0.1450000      1.359000  
1 1 1 25 19 20 o 6.6910  0.3205 -0.4307000     0.6409000 
1 1 1 25 19 21 f 1.9480  0.5687 0.4623000      1.137000  
1 1 1 25 19 22 o 3.7110  0.5443 -0.3436000     1.089000  
1 1 1 25 19 23 o 5.0740  0.4168 0.3239000      0.8336000 
1 1 1 25 19 24 o 4.6170  0.4481 -0.5502000     0.8961000 
1 1 1 25 19 25 o 3.2130  0.6012 -0.8238000E-01 1.202000  
1 1 1 25 19 26 o 4.3340  0.5455 0.7904000      1.091000  
1 1 1 25 19 27 o 1.9010  0.5888 -0.1830000     1.178000  
1 1 1 25 19 28 o 3.4740  0.5735 1.110000       1.147000  
1 1 1 25 19 29 o 3.5780  0.5557 0.2214000      1.111000  
1 1 1 25 19 30 o 1.9500  0.5668 -0.2485000     1.134000  
1 1 1 25 19 31 o 2.2290  0.5871 -0.6445000     1.174000  
1 1 1 25 19 32 o 5.5500  0.3358 0.2695000      0.6716000 
1 1 1 25 19 33 o 2.8610  0.6478 0.7310000      1.296000  
1 1 1 25 19 34 f 2.3350  0.5768 -1.416000      1.154000  
1 1 1 25 19 35 o 3.4220  0.6758 1.268000       1.352000  
1 1 1 25 19 36 o 2.5930  0.6570 -1.397000      1.314000  
1 1 1 25 19 37 o 4.4240  0.5325 -0.4385000     1.065000  
1 1 1 25 19 38 o 1.4950  0.5044 -0.4788000     1.009000  
1 1 1 25 19 39 o 3.8330  0.6025 1.657000       1.205000  
1 1 1 25 19 40 o 2.8760  0.6692 -1.545000      1.338000  
1 1 1 25 19 41 o 2.8810  0.6632 0.2290000      1.326000  
1 1 1 25 19 42 o 2.5090  0.6288 0.2933000      1.258000  
1 1 1 25 20 0  o 2.0750  1.1100 0.000000       0.000000  
1 1 1 25 20 1  o 9.9550  0.2573 0.4963000      0.5146000 
1 1 1 25 20 2  o 7.3030  0.3285 0.1734000E-01  0.6570000 
1 1 1 25 20 3  f 3.0770  0.6748 -1.781000      1.350000  
1 1 1 25 20 4  o 7.5040  0.3782 -0.3658000     0.7563000 
1 1 1 25 20 5  o 5.0600  0.6315 1.607000       1.263000  
1 1 1 25 20 6  o 6.4590  0.3894 -0.1513000E-01 0.7789000 
1 1 1 25 20 7  o 3.0810  0.6155 1.696000       1.231000  
1 1 1 25 20 8  o 3.9340  0.5713 0.6205000      1.143000  
1 1 1 25 20 9  o 2.5580  0.6306 0.5864000      1.261000  
1 1 1 25 20 10 o 8.0380  0.2803 0.3554000      0.5606000 
1 1 1 25 20 11 o 6.2300  0.3492 -0.2574000     0.6985000 
1 1 1 25 20 12 o 3.5150  0.5861 0.7151000      1.172000  
1 1 1 25 20 13 o 3.5840  0.5773 0.3974000      1.155000  
1 1 1 25 20 14 o 2.4040  0.6272 -0.5173000     1.254000  
1 1 1 25 20 15 o 5.1070  0.5395 0.5792000      1.079000  
1 1 1 25 20 16 o 1.9960  0.6312 0.9339000      1.262000  
1 1 1 25 20 17 o 4.2820  0.6929 -2.412000      1.386000  
1 1 1 25 20 18 o 3.5720  0.5797 1.882000       1.159000  
1 1 1 25 20 19 o 10.340  0.2947 0.6201000      0.5894000 
1 1 1 25 20 20 o 4.1260  0.5784 -0.6038000     1.157000  
1 1 1 25 20 21 o 1.5660  0.5163 0.1018000E-01  1.033000  
1 1 1 25 20 22 o 2.7750  0.5602 1.699000       1.120000  
1 1 1 25 20 23 o 2.7000  0.4929 -2.817000      0.9858000 
1 1 1 25 20 24 o 2.5530  0.6280 0.1355000      1.256000  
1 1 1 25 20 25 o 4.8000  0.4970 0.8140000      0.9939000 
1 1 1 25 20 26 o 2.4720  0.6378 -0.8633000     1.276000  
1 1 1 25 20 27 o 2.9630  0.6187 -0.5915000     1.237000  
1 1 1 25 20 28 o 2.8050  0.6031 0.4931000      1.206000  
1 1 1 25 20 29 o 2.0130  0.5643 -1.079000      1.129000  
1 1 1 25 20 30 o 2.2060  0.5524 0.8927000      1.105000  
1 1 1 25 20 31 f 1.8570  0.5474 -0.8762000     1.095000  
1 1 1 25 20 32 o 3.2560  0.5397 0.7181000      1.079000  
1 1 1 25 20 33 o 2.6590  0.5805 -0.9316000     1.161000  
1 1 1 25 20 34 o 2.1970  0.5920 0.8875000      1.184000  
1 1 1 25 20 35 o 2.3170  0.6240 0.4074000      1.248000  
1 1 1 25 20 36 f 2.5890  0.6264 1.258000       1.253000  
1 1 1 25 20 37 o 3.0570  0.4652 3.147000       0.9304000 
1 1 1 25 20 38 o 4.0630  0.6278 0.7002000      1.256000  
1 1 1 25 20 39 o 4.0440  0.6125 2.032000       1.225000  
1 1 1 25 20 40 o 2.9220  0.6791 0.9497000      1.358000  
1 1 1 25 20 41 o 2.8880  0.7998 0.4280000      1.600000  
1 1 1 25 21 0  o 5.4130  0.6175 0.000000       0.000000  
1 1 1 25 21 1  o 1.4500  0.4947 -0.4698000     0.9894000 
1 1 1 25 21 2  o 4.1280  0.5999 2.619000       1.200000  
1 1 1 25 21 3  o 2.2310  0.6631 0.7381000      1.326000  
1 1 1 25 21 4  o 6.2190  0.4942 -0.2418000E-01 0.9884000 
1 1 1 25 21 5  o 4.3910  0.5665 -1.128000      1.133000  
1 1 1 25 21 6  o 5.6120  0.4131 -0.1865000     0.8262000 
1 1 1 25 21 7  o 5.6550  0.4055 -0.9748000     0.8110000 
1 1 1 25 21 8  o 5.2130  0.4341 -0.2650000     0.8682000 
1 1 1 25 21 9  o 6.8470  0.3351 0.5165000      0.6702000 
1 1 1 25 21 10 o 3.4350  0.6279 -0.3470000     1.256000  
1 1 1 25 21 11 o 5.3090  0.4277 0.7280000      0.8554000 
1 1 1 25 21 12 o 4.9750  0.4448 0.1885000      0.8896000 
1 1 1 25 21 13 o 3.9820  0.6039 -0.4987000     1.208000  
1 1 1 25 21 14 o 3.8220  0.7395 0.4899000      1.479000  
1 1 1 25 21 15 o 2.0250  0.5982 0.6995000      1.196000  
1 1 1 25 21 16 o 2.4810  0.5533 2.411000       1.107000  
1 1 1 25 21 17 o 5.1080  0.6143 0.8098000      1.229000  
1 1 1 25 21 18 o 8.1710  0.3316 0.3570000      0.6632000 
1 1 1 25 21 19 o 6.3980  0.3819 -0.4143000     0.7638000 
1 1 1 25 21 20 o 2.2830  0.6263 0.4378000      1.253000  
1 1 1 25 21 21 o 1.8810  0.5721 -0.9115000E-01 1.144000  
1 1 1 25 21 22 o 7.3620  0.2842 0.4189000E-01  0.5684000 
1 1 1 25 21 23 o 2.4020  0.5522 -2.006000      1.104000  
1 1 1 25 21 24 o 3.2010  0.6284 -1.291000      1.257000  
1 1 1 25 21 25 o 5.6790  0.4126 1.068000       0.8252000 
1 1 1 25 21 26 o 2.3140  0.6027 0.5030000      1.205000  
1 1 1 25 21 27 o 2.5990  0.5211 -2.701000      1.042000  
1 1 1 25 21 28 o 2.1250  0.5806 0.4764000      1.161000  
1 1 1 25 21 29 o 2.6630  0.6140 -1.189000      1.228000  
1 1 1 25 21 30 o 4.3750  0.4687 -0.1790000     0.9373000 
1 1 1 25 21 31 o 2.7300  0.6072 0.4355000      1.214000  
1 1 1 25 21 32 o 4.4560  0.4815 1.315000       0.9631000 
1 1 1 25 21 33 o 2.9150  0.5631 1.260000       1.126000  
1 1 1 25 21 34 o 1.6820  0.5327 -0.2563000     1.065000  
1 1 1 25 21 35 o 2.2920  0.5884 -1.439000      1.177000  
1 1 1 25 21 36 o 1.5620  0.5140 -0.4039000E-01 1.028000  
1 1 1 25 21 37 o 6.2060  0.5316 1.066000       1.063000  
1 1 1 25 21 38 o 2.1820  0.6750 -0.8148000E-02 1.350000  
1 1 1 25 21 39 o 1.9240  0.6036 -0.9530000     1.207000  
1 1 1 25 22 0  f 4.3530  0.8320 0.000000       0.000000  
1 1 1 25 22 1  o 5.0070  0.5839 -0.6711000     1.168000  
1 1 1 25 22 2  o 6.8220  0.4250 -0.1164000     0.8499000 
1 1 1 25 22 3  o 3.4330  0.6649 -1.470000      1.330000  
1 1 1 25 22 4  o 4.1550  0.5949 -1.683000      1.190000  
1 1 1 25 22 5  o 6.9880  0.3385 0.1118000      0.6769000 
1 1 1 25 22 6  o 4.0300  0.5658 -0.4995000     1.132000  
1 1 1 25 22 7  o 4.5270  0.5090 -0.8879000     1.018000  
1 1 1 25 22 8  o 3.1060  0.6345 0.9593000      1.269000  
1 1 1 25 22 9  o 1.8590  0.5818 -0.2205000     1.164000  
1 1 1 25 22 10 o 2.5550  0.5996 1.512000       1.199000  
1 1 1 25 22 11 o 3.4080  0.5953 1.035000       1.191000  
1 1 1 25 22 12 o 2.1990  0.6212 0.9013000      1.242000  
1 1 1 25 22 13 o 2.8710  0.6637 0.9756000      1.327000  
1 1 1 25 22 14 o 2.3140  0.6584 -0.7886000E-01 1.317000  
1 1 1 25 22 15 o 2.5830  0.5942 1.216000       1.188000  
1 1 1 25 22 16 o 7.9230  0.2827 0.2070000      0.5654000 
1 1 1 25 22 17 o 2.8380  0.6439 0.9603000      1.288000  
1 1 1 25 22 18 f 5.8880  0.5146 -0.7711000     1.029000  
1 1 1 25 22 19 o 7.4850  0.3332 0.6174000      0.6664000 
1 1 1 25 22 20 o 3.9320  0.6571 -2.709000      1.314000  
1 1 1 25 22 21 o 4.6190  0.5761 ?              ?         
1 1 1 25 22 22 o 4.6760  0.4875 -0.3002000     0.9751000 
1 1 1 25 22 23 f 2.0930  0.6332 -0.9299000E-01 1.266000  
1 1 1 25 22 24 o 1.7370  0.5449 0.3351000      1.090000  
1 1 1 25 22 25 f 4.7910  0.4820 -0.7392000     0.9639000 
1 1 1 25 22 26 o 2.1640  0.5653 1.086000       1.131000  
1 1 1 25 22 27 o 3.4160  0.5610 1.013000       1.122000  
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1 1 1 25 23 0  o 3.2620  1.5830 0.000000       0.000000  
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1 1 1 25 23 13 o 3.4580  0.6024 -0.7787000E-01 1.205000  
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1 1 1 25 23 21 o 3.0530  0.7721 -1.688000      1.544000  
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1 1 1 25 23 25 o 4.6040  0.4936 -0.1677000     0.9872000 
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1 1 1 25 23 33 o 1.7760  0.5596 0.3949000      1.119000  
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1 1 1 25 24 2  o 2.4420  0.7241 -0.3004000     1.448000  
1 1 1 25 24 3  o 4.0800  0.5746 1.018000       1.149000  
1 1 1 25 24 4  o 1.9120  0.5939 0.1456000      1.188000  
1 1 1 25 24 5  o 3.7560  0.5988 -1.204000      1.198000  
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1 1 1 25 24 7  o 2.1270  0.6120 -0.4720000     1.224000  
1 1 1 25 24 8  o 4.3520  0.5389 -0.1196000     1.078000  
1 1 1 25 24 9  o 2.4920  0.6482 -0.7048000     1.296000  
1 1 1 25 24 10 o 2.7160  0.7219 -0.1825000     1.444000  
1 1 1 25 24 11 o 4.0130  0.5572 1.051000       1.114000  
1 1 1 25 24 12 o 1.8830  0.5734 0.3780000      1.147000  
1 1 1 25 24 13 o 5.2550  0.4201 1.043000       0.8402000 
1 1 1 25 24 14 o 6.8430  0.3184 0.5313000      0.6367000 
1 1 1 25 24 15 o 4.6480  0.4591 0.2975000E-02  0.9182000 
1 1 1 25 24 16 o 6.0950  0.3502 0.4868000      0.7004000 
1 1 1 25 24 17 o 2.4860  0.6043 -1.509000      1.209000  
1 1 1 25 24 18 o 3.3090  0.5953 -0.9694000     1.191000  
1 1 1 25 24 19 o 2.9740  0.6242 -0.8509000     1.248000  
1 1 1 25 24 20 o 5.7070  0.4547 0.6066000      0.9094000 
1 1 1 25 24 21 f 6.5810  0.5785 -0.3475000     1.157000  
1 1 1 25 24 22 o 4.2580  0.7683 1.527000       1.537000  
1 1 1 25 24 23 o 3.0630  0.6649 0.5794000      1.330000  
1 1 1 25 24 24 o 7.3410  0.3047 -0.1209000     0.6093000 
1 1 1 25 24 25 o 2.5630  0.6397 -0.5087000     1.279000  
1 1 1 25 24 26 o 3.1260  0.5757 1.899000       1.151000  
1 1 1 25 24 27 o 6.2440  0.3528 -0.1577000     0.7056000 
1 1 1 25 24 28 o 8.0300  0.2873 -0.2887000     0.5746000 
1 1 1 25 24 29 o 6.3280  0.3457 0.3011000E-01  0.6914000 
1 1 1 25 24 30 o 3.0300  0.6249 0.4412000      1.250000  
1 1 1 25 24 31 o 2.7980  0.6155 -1.149000      1.231000  
1 1 1 25 24 32 o 2.8940  0.6404 -0.3046000     1.281000  
1 1 1 25 25 0  o 2.9750  1.4850 0.000000       0.000000  
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1 1 1 25 25 17 o 1.2390  0.8307 0.000000       0.000000  
1 1 1 25 25 18 o 0.9575  0.6953 0.000000       0.000000  
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1 1 1 25 25 20 o 1.1190  0.7738 0.000000       0.000000  
1 1 1 25 25 21 o 2.4120  1.1580 0.000000       0.000000  
1 1 1 25 25 22 o 2.8900  1.4060 0.000000       0.000000  
1 1 1 25 25 23 o 1.1920  0.8398 0.000000       0.000000  
1 1 1 25 25 24 o 1.5600  0.9625 0.000000       0.000000  
1 1 1 25 25 25 o 0.9293  0.6658 0.000000       0.000000  
1 1 1 25 25 26 o 7.4560  0.4334 0.000000       0.000000  
1 1 1 25 25 27 o 1.3270  0.8746 0.000000       0.000000  
1 1 1 25 25 28 o 2.1040  1.0960 0.000000       0.000000  
1 1 1 25 25 29 o 3.0490  1.0730 0.000000       0.000000  
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1 1 1 26 0  2  o 13.830  0.3122 0.000000       0.000000  
1 1 1 26 0  3  o 14.820  0.3012 0.000000       0.000000  
1 1 1 26 0  4  o 10.360  0.4484 0.000000       0.000000  
1 1 1 26 0  5  o 1.4120  0.9627 0.000000       0.000000  
1 1 1 26 0  6  o 6.8090  0.7728 0.000000       0.000000  
1 1 1 26 0  7  o 2.8940  1.6080 0.000000       0.000000  
1 1 1 26 0  8  o 6.5600  0.6740 0.000000       0.000000  
1 1 1 26 0  9  o 1.7780  1.1510 0.000000       0.000000  
1 1 1 26 0  10 o 14.600  0.4106 0.000000       0.000000  
1 1 1 26 0  11 o 12.970  0.4393 0.000000       0.000000  
1 1 1 26 0  12 o 7.6140  0.5690 0.000000       0.000000  
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1 1 1 26 0  14 o 4.4290  1.0650 0.000000       0.000000  
1 1 1 26 0  15 o 6.3570  0.6701 0.000000       0.000000  
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1 1 1 26 0  18 o 9.5890  0.4499 0.000000       0.000000  
1 1 1 26 0  19 o 8.1970  0.5156 0.000000       0.000000  
1 1 1 26 0  20 o 9.7640  0.4423 0.000000       0.000000  
1 1 1 26 0  21 o 6.6290  0.6241 0.000000       0.000000  
1 1 1 26 0  22 o 2.0950  1.1880 0.000000       0.000000  
1 1 1 26 0  23 o 13.420  0.3446 0.000000       0.000000  
1 1 1 26 0  24 o 12.130  0.3640 0.000000       0.000000  
1 1 1 26 0  25 o 1.5340  0.9999 0.000000       0.000000  
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1 1 1 26 0  27 o 9.2780  0.4390 0.000000       0.000000  
1 1 1 26 0  28 o 12.360  0.3550 0.000000       0.000000  
1 1 1 26 0  29 o 6.8340  0.5667 0.000000       0.000000  
1 1 1 26 0  30 o 10.270  0.4846 0.000000       0.000000  
1 1 1 26 0  31 o 5.7670  0.8157 0.000000       0.000000  
1 1 1 26 0  32 o 12.990  0.4095 0.000000       0.000000  
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1 1 1 26 0  35 o 6.7770  0.6938 0.000000       0.000000  
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1 1 1 26 0  39 o 3.5990  1.3150 0.000000       0.000000  
1 1 1 26 0  40 o 7.5180  0.6131 0.000000       0.000000  
1 1 1 26 0  41 o 7.0240  0.5614 0.000000       0.000000  
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1 1 1 26 0  43 o 6.4830  0.5746 0.000000       0.000000  
1 1 1 26 0  44 o 8.8280  0.4484 0.000000       0.000000  
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1 1 1 26 0  49 o 2.8180  1.1790 0.000000       0.000000  
1 1 1 26 0  50 o 2.5590  1.2000 0.000000       0.000000  
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1 1 1 26 0  52 o 3.5410  1.1140 0.000000       0.000000  
1 1 1 26 0  53 o 2.9360  1.2140 0.000000       0.000000  
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1 1 1 26 1  0  f 1.3440  0.9090 0.000000       0.000000  
1 1 1 26 1  1  o 12.110  0.2405 0.2199000      0.4810000 
1 1 1 26 1  2  o 13.810  0.2372 0.3357000      0.4744000 
1 1 1 26 1  3  o 14.820  0.2265 -0.6505000E-01 0.4530000 
1 1 1 26 1  4  o 12.810  0.2515 -0.6118000     0.5030000 
1 1 1 26 1  5  o 11.630  0.3887 0.6763000      0.7774000 
1 1 1 26 1  6  o 10.420  0.3406 0.4015000      0.6811000 
1 1 1 26 1  7  o 2.5140  0.7305 1.136000       1.461000  
1 1 1 26 1  8  o 8.6800  0.3998 0.8744000      0.7996000 
1 1 1 26 1  9  o 3.2680  0.7650 1.780000       1.530000  
1 1 1 26 1  10 o 4.7480  0.7458 -1.417000      1.492000  
1 1 1 26 1  11 o 10.870  0.3537 -0.9522000     0.7075000 
1 1 1 26 1  12 o 7.7570  0.4473 1.479000       0.8946000 
1 1 1 26 1  13 o 11.120  0.2905 0.2944000      0.5810000 
1 1 1 26 1  14 o 17.330  0.2177 0.5678000      0.4354000 
1 1 1 26 1  15 o 6.2980  0.4717 -0.5255000     0.9433000 
1 1 1 26 1  16 f 3.9580  0.6979 1.361000       1.396000  
1 1 1 26 1  17 f 4.6520  0.6348 1.475000       1.270000  
1 1 1 26 1  18 o 3.6950  0.7343 0.2876000      1.469000  
1 1 1 26 1  19 o 5.9460  0.4913 0.3329000      0.9826000 
1 1 1 26 1  20 f 13.450  0.2475 -0.4611000     0.4951000 
1 1 1 26 1  21 o 3.5600  0.7290 0.4902000      1.458000  
1 1 1 26 1  22 o 3.7730  0.6906 1.348000       1.381000  
1 1 1 26 1  23 o 6.6020  0.4326 -1.203000      0.8652000 
1 1 1 26 1  24 o 7.7270  0.3701 -0.9883000     0.7401000 
1 1 1 26 1  25 o 6.6320  0.4205 -0.7005000     0.8409000 
1 1 1 26 1  26 o 6.5110  0.4208 -0.9820000     0.8415000 
1 1 1 26 1  27 o 3.4650  0.7488 -0.6313000     1.498000  
1 1 1 26 1  28 o 3.2980  0.6914 1.585000       1.383000  
1 1 1 26 1  29 o 6.5780  0.4536 -0.4281000     0.9073000 
1 1 1 26 1  30 o 7.9260  0.3792 -1.161000      0.7584000 
1 1 1 26 1  31 o 2.0830  0.6467 -1.162000      1.293000  
1 1 1 26 1  32 o 6.5610  0.4983 -0.8864000     0.9966000 
1 1 1 26 1  33 o 8.0040  0.4132 0.5569000      0.8264000 
1 1 1 26 1  34 o 7.6600  0.4243 -0.5173000     0.8486000 
1 1 1 26 1  35 o 3.1650  0.7837 -0.2180000E-02 1.567000  
1 1 1 26 1  36 o 3.9520  0.8225 -2.965000      1.645000  
1 1 1 26 1  37 o 3.3340  0.8659 1.495000       1.732000  
1 1 1 26 1  38 o 2.8710  0.6495 1.834000       1.299000  
1 1 1 26 1  39 o 3.0520  0.7893 0.8629000      1.579000  
1 1 1 26 1  40 o 13.370  0.3973 ?              ?         
1 1 1 26 1  41 o 3.6410  0.7045 1.780000       1.409000  
1 1 1 26 1  42 o 7.1110  0.3804 0.3859000      0.7609000 
1 1 1 26 1  43 o 7.2140  0.4185 -0.2360000     0.8369000 
1 1 1 26 1  44 o 9.3290  0.3405 0.2217000      0.6811000 
1 1 1 26 1  45 o 5.0800  0.5864 0.2158000E-01  1.173000  
1 1 1 26 1  46 o 5.6410  0.5248 0.2658000      1.050000  
1 1 1 26 1  47 o 4.9310  0.6196 1.353000       1.239000  
1 1 1 26 1  48 o 4.2020  0.6685 -0.3994000     1.337000  
1 1 1 26 1  49 o 4.4140  0.6556 -0.1092000     1.311000  
1 1 1 26 1  50 o 8.1260  0.3791 -0.5833000     0.7583000 
1 1 1 26 1  51 o 2.8880  0.6703 -2.544000      1.341000  
1 1 1 26 1  52 o 2.5180  0.7160 -0.1346000     1.432000  
1 1 1 26 1  53 f 2.0070  0.6330 0.3853000      1.266000  
1 1 1 26 1  54 o 2.2070  0.6903 -0.7363000     1.381000  
1 1 1 26 2  0  o 14.100  0.3144 0.000000       0.000000  
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1 1 1 26 2  2  o 19.720  0.1966 0.3805000      0.3931000 
1 1 1 26 2  3  o 5.3950  0.5636 0.1994000      1.127000  
1 1 1 26 2  4  o 6.0310  0.5410 -2.338000      1.082000  
1 1 1 26 2  5  o 21.100  0.1949 -0.4099000E-01 0.3898000 
1 1 1 26 2  6  o 11.980  0.2977 0.1556000      0.5954000 
1 1 1 26 2  7  o 2.9190  0.8057 -0.8430000E-01 1.611000  
1 1 1 26 2  8  o 5.5540  0.6940 0.4613000      1.388000  
1 1 1 26 2  9  o 12.680  0.2940 -1.143000      0.5881000 
1 1 1 26 2  10 o 4.6770  0.6961 -0.9311000     1.392000  
1 1 1 26 2  11 o 3.0690  0.7691 -1.544000      1.538000  
1 1 1 26 2  12 o 6.6000  0.5006 -0.3243000     1.001000  
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1 1 1 26 2  14 o 10.100  0.3102 -0.2135000     0.6203000 
1 1 1 26 2  15 o 14.830  0.2364 -0.1803000     0.4727000 
1 1 1 26 2  16 o 5.4760  0.5493 1.190000       1.099000  
1 1 1 26 2  17 o 3.4880  0.7431 0.5589000      1.486000  
1 1 1 26 2  18 o 7.8160  0.3817 0.9892000      0.7634000 
1 1 1 26 2  19 o 10.100  0.3069 -0.7989000E-01 0.6138000 
1 1 1 26 2  20 o 6.0430  0.4840 -0.3328000     0.9679000 
1 1 1 26 2  21 o 7.4110  0.3951 -1.108000      0.7901000 
1 1 1 26 2  22 o 10.190  0.2989 1.219000       0.5978000 
1 1 1 26 2  23 o 2.6940  0.7058 -0.8671000     1.412000  
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1 1 1 26 2  25 o 5.3510  0.6165 2.418000       1.233000  
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1 1 1 26 2  27 o 5.9160  0.5111 -0.2854000     1.022000  
1 1 1 26 2  28 o 7.2920  0.4177 0.1517000      0.8353000 
1 1 1 26 2  29 o 4.6560  0.6430 -1.327000      1.286000  
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1 1 1 26 2  42 o 3.0020  0.6783 1.128000       1.357000  
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1 1 1 26 3  0  o 8.1220  0.5261 0.000000       0.000000  
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1 1 1 26 3  4  o 8.5410  0.3417 -0.3512000     0.6833000 
1 1 1 26 3  5  o 3.1600  0.7660 -0.1699000     1.532000  
1 1 1 26 3  6  o 15.000  0.3042 -0.3070000     0.6085000 
1 1 1 26 3  7  o 11.750  0.3599 0.1942000      0.7198000 
1 1 1 26 3  8  o 10.960  0.3741 0.5018000      0.7483000 
1 1 1 26 3  9  o 8.2690  0.3911 1.034000       0.7822000 
1 1 1 26 3  10 o 9.0030  0.3277 0.4148000E-01  0.6554000 
1 1 1 26 3  11 o 9.8370  0.3180 0.4329000      0.6359000 
1 1 1 26 3  12 o 2.1220  0.6566 0.7510000      1.313000  
1 1 1 26 3  13 o 3.4430  0.7938 -0.7605000     1.588000  
1 1 1 26 3  14 o 3.0600  0.7548 -0.6116000E-01 1.510000  
1 1 1 26 3  15 o 6.1730  0.4744 0.4862000      0.9489000 
1 1 1 26 3  16 o 3.0470  0.7445 -0.6508000     1.489000  
1 1 1 26 3  17 o 6.8400  0.4321 -1.047000      0.8641000 
1 1 1 26 3  18 o 8.5020  0.3599 1.609000       0.7197000 
1 1 1 26 3  19 o 5.0920  0.5795 0.7894000      1.159000  
1 1 1 26 3  20 o 7.7870  0.3725 -0.6286000E-01 0.7449000 
1 1 1 26 3  21 o 3.2200  0.7389 0.2445000E-01  1.478000  
1 1 1 26 3  22 o 2.0700  0.6446 -0.6368000E-02 1.289000  
1 1 1 26 3  23 o 7.0010  0.4310 -0.7384000     0.8620000 
1 1 1 26 3  24 o 1.8290  0.6088 -0.6141000     1.218000  
1 1 1 26 3  25 o 5.5090  0.5500 -1.383000      1.100000  
1 1 1 26 3  26 o 10.230  0.3241 -0.2004000     0.6482000 
1 1 1 26 3  28 o 6.0510  0.5026 -1.670000      1.005000  
1 1 1 26 3  29 o 4.4780  0.6621 -0.3012000     1.324000  
1 1 1 26 3  30 o 6.0230  0.4920 -0.1989000     0.9840000 
1 1 1 26 3  31 o 7.0220  0.5312 ?              ?         
1 1 1 26 3  32 o 2.2640  0.6836 -0.6499000     1.367000  
1 1 1 26 3  33 o 10.010  0.3164 -0.7579000     0.6328000 
1 1 1 26 3  34 o 3.2810  0.7232 0.7676000      1.446000  
1 1 1 26 3  35 o 6.6750  0.4493 0.8309000      0.8986000 
1 1 1 26 3  36 o 4.1860  0.7548 0.5057000      1.510000  
1 1 1 26 3  37 o 2.2370  0.7014 -0.4063000     1.403000  
1 1 1 26 3  38 o 4.5670  0.6171 3.702000       1.234000  
1 1 1 26 3  39 o 4.6050  0.6775 -0.2682000     1.355000  
1 1 1 26 3  40 o 4.9180  0.6406 -0.6097000     1.281000  
1 1 1 26 3  41 o 3.0930  0.7391 0.2594000      1.478000  
1 1 1 26 3  42 o 1.9350  0.8628 ?              ?         
1 1 1 26 3  43 o 4.8720  0.5187 0.4946000      1.037000  
1 1 1 26 3  44 o 5.2500  0.4789 -0.2430000E-01 0.9578000 
1 1 1 26 3  45 o 2.9730  0.6704 1.016000       1.341000  
1 1 1 26 3  46 o 1.9020  0.6034 -0.1283000     1.207000  
1 1 1 26 3  47 o 6.8720  0.3762 -0.6817000E-01 0.7524000 
1 1 1 26 3  48 o 6.4420  0.4618 -1.519000      0.9236000 
1 1 1 26 3  49 o 2.2110  0.6500 0.1078000      1.300000  
1 1 1 26 3  50 o 3.2490  0.6700 -1.076000      1.340000  
1 1 1 26 3  51 o 1.9830  0.6175 -0.5113000     1.235000  
1 1 1 26 3  52 o 2.0920  0.6486 0.6636000E-01  1.297000  
1 1 1 26 3  53 o 2.5750  0.7026 0.3086000      1.405000  
1 1 1 26 3  54 o 4.5590  0.5883 -0.8156000     1.177000  
1 1 1 26 4  0  o 7.7750  0.6417 0.000000       0.000000  
1 1 1 26 4  1  o 19.900  0.2058 -0.2376000     0.4116000 
1 1 1 26 4  2  o 2.8540  0.7325 -0.1163000     1.465000  
1 1 1 26 4  3  o 4.5490  0.6698 -0.5428000     1.340000  
1 1 1 26 4  4  o 13.950  0.2548 -0.4361000     0.5096000 
1 1 1 26 4  5  o 10.950  0.2984 -0.2192000     0.5968000 
1 1 1 26 4  6  o 2.1180  0.6694 0.1375000E-01  1.339000  
1 1 1 26 4  7  o 12.660  0.3407 -0.1259000     0.6814000 
1 1 1 26 4  8  o 21.770  0.2166 -0.8482000     0.4331000 
1 1 1 26 4  9  o 4.3210  0.6888 -2.046000      1.378000  
1 1 1 26 4  10 o 7.6640  0.3769 -0.7135000     0.7538000 
1 1 1 26 4  11 o 3.2560  0.8042 0.2514000      1.608000  
1 1 1 26 4  12 o 8.9240  0.3427 -0.6972000     0.6853000 
1 1 1 26 4  13 o 5.3080  0.5989 2.523000       1.198000  
1 1 1 26 4  14 o 14.010  0.2480 0.9796000      0.4961000 
1 1 1 26 4  15 o 8.7450  0.3488 -0.1038000     0.6975000 
1 1 1 26 4  16 o 4.7790  0.6189 -0.7890000     1.238000  
1 1 1 26 4  17 o 8.5460  0.3505 0.1875000      0.7009000 
1 1 1 26 4  18 o 6.6250  0.4359 0.8573000E-02  0.8719000 
1 1 1 26 4  19 o 3.3470  0.7327 0.4459000      1.465000  
1 1 1 26 4  20 o 8.0000  0.3697 1.227000       0.7393000 
1 1 1 26 4  21 o 2.8250  0.7541 0.1687000      1.508000  
1 1 1 26 4  22 o 5.1250  0.6360 1.817000       1.272000  
1 1 1 26 4  23 o 5.5050  0.5702 0.6462000      1.140000  
1 1 1 26 4  24 o 3.2760  0.6149 2.613000       1.230000  
1 1 1 26 4  25 o 6.1230  0.4873 -1.200000      0.9746000 
1 1 1 26 4  26 o 5.4490  0.5523 -1.245000      1.105000  
1 1 1 26 4  27 o 2.7240  0.7375 -0.7561000     1.475000  
1 1 1 26 4  28 o 6.0950  0.4960 0.1817000      0.9919000 
1 1 1 26 4  29 o 7.7310  0.3942 -0.5168000E-01 0.7885000 
1 1 1 26 4  30 o 6.3300  0.4706 0.9568000E-01  0.9412000 
1 1 1 26 4  31 o 3.8460  0.6968 -1.742000      1.394000  
1 1 1 26 4  32 o 2.4200  0.6919 -1.092000      1.384000  
1 1 1 26 4  33 o 7.3370  0.4161 0.9592000      0.8323000 
1 1 1 26 4  34 o 3.5070  0.6673 -1.544000      1.335000  
1 1 1 26 4  35 o 6.2420  0.5477 -0.5347000     1.095000  
1 1 1 26 4  36 o 3.1860  0.8580 -0.1716000     1.716000  
1 1 1 26 4  37 o 4.7570  0.9503 ?              ?         
1 1 1 26 4  38 o 3.0510  0.7056 1.018000       1.411000  
1 1 1 26 4  39 o 4.4830  0.6760 0.1359000E-01  1.352000  
1 1 1 26 4  40 o 2.1820  0.6515 -0.6780000     1.303000  
1 1 1 26 4  41 o 2.7730  0.7181 -0.9922000E-01 1.436000  
1 1 1 26 4  42 o 5.1400  0.5118 -1.243000      1.024000  
1 1 1 26 4  43 o 6.7930  0.4314 0.7790000      0.8628000 
1 1 1 26 4  44 o 4.5150  0.5593 0.6134000      1.119000  
1 1 1 26 4  45 o 8.2440  0.3196 -0.8575000     0.6392000 
1 1 1 26 4  46 o 3.0570  0.6974 -0.1853000     1.395000  
1 1 1 26 4  47 o 2.0340  0.6253 -0.7021000E-01 1.251000  
1 1 1 26 4  48 o 3.3310  0.6792 -0.5538000     1.358000  
1 1 1 26 4  49 o 3.8560  0.6028 2.313000       1.206000  
1 1 1 26 4  50 o 5.0490  0.5688 -2.017000      1.138000  
1 1 1 26 4  51 o 2.7580  0.6865 0.5299000      1.373000  
1 1 1 26 4  52 o 3.2250  0.5759 2.938000       1.152000  
1 1 1 26 4  53 o 5.7250  0.4472 -0.3254000     0.8943000 
1 1 1 26 4  54 o 1.9120  0.6018 0.3508000      1.204000  
1 1 1 26 5  0  o 2.6390  1.3520 0.000000       0.000000  
1 1 1 26 5  1  o 3.2020  0.8017 -0.4941000     1.603000  
1 1 1 26 5  2  o 5.4780  0.5861 -0.1711000     1.172000  
1 1 1 26 5  3  o 6.5680  0.5016 -1.476000      1.003000  
1 1 1 26 5  4  o 6.2320  0.4782 0.2571000      0.9565000 
1 1 1 26 5  5  o 5.2250  0.5716 0.4985000      1.143000  
1 1 1 26 5  6  o 13.240  0.2378 -0.6163000     0.4757000 
1 1 1 26 5  7  o 4.9140  0.6348 2.203000       1.270000  
1 1 1 26 5  8  o 4.2150  0.7211 0.7568000      1.442000  
1 1 1 26 5  9  o 19.080  0.2237 0.5491000      0.4473000 
1 1 1 26 5  10 o 2.8870  0.6820 1.838000       1.364000  
1 1 1 26 5  11 o 4.3460  0.6808 -0.3158000     1.362000  
1 1 1 26 5  12 o 3.6880  0.6449 -3.067000      1.290000  
1 1 1 26 5  13 o 5.1280  0.6650 -1.590000      1.330000  
1 1 1 26 5  14 o 7.9040  0.3805 0.3079000      0.7610000 
1 1 1 26 5  15 o 11.510  0.2576 0.1607000      0.5153000 
1 1 1 26 5  16 o 10.010  0.3075 -0.9908000     0.6150000 
1 1 1 26 5  17 o 11.530  0.2751 -0.6292000     0.5503000 
1 1 1 26 5  18 o 6.7840  0.4285 -0.3558000     0.8570000 
1 1 1 26 5  19 o 6.7700  0.4651 -1.224000      0.9301000 
1 1 1 26 5  20 o 8.6340  0.3771 0.2913000      0.7542000 
1 1 1 26 5  21 o 4.3130  0.6999 -0.3864000     1.400000  
1 1 1 26 5  22 o 6.7150  0.5158 2.581000       1.032000  
1 1 1 26 5  23 o 8.9410  0.3551 0.2983000      0.7102000 
1 1 1 26 5  24 o 9.9970  0.3234 0.4108000      0.6468000 
1 1 1 26 5  25 o 5.1590  0.6129 1.436000       1.226000  
1 1 1 26 5  26 o 5.9640  0.5050 -1.575000      1.010000  
1 1 1 26 5  27 o 3.6570  0.7815 0.7123000E-01  1.563000  
1 1 1 26 5  28 o 2.5840  0.7386 0.6348000      1.477000  
1 1 1 26 5  29 o 12.160  0.3066 0.8595000      0.6133000 
1 1 1 26 5  30 o 6.5840  0.5032 -0.1305000     1.006000  
1 1 1 26 5  31 o 4.8310  0.9553 ?              ?         
1 1 1 26 5  32 o 2.8390  0.7691 -0.1725000     1.538000  
1 1 1 26 5  33 o 4.1440  0.7515 -0.1167000     1.503000  
1 1 1 26 5  34 o 4.7890  0.6668 -1.668000      1.334000  
1 1 1 26 5  35 o 9.9620  0.4685 -0.4236000E-01 0.9369000 
1 1 1 26 5  36 o 3.8000  0.9016 0.7612000      1.803000  
1 1 1 26 5  37 o 9.7030  0.3823 0.8575000      0.7646000 
1 1 1 26 5  38 o 1.8970  0.6301 -0.3357000     1.260000  
1 1 1 26 5  39 o 2.2840  0.6778 0.6382000      1.356000  
1 1 1 26 5  40 o 3.6930  0.6914 -0.2563000     1.383000  
1 1 1 26 5  41 o 3.1220  0.6771 -1.181000      1.354000  
1 1 1 26 5  42 o 2.7010  0.6864 0.3726000      1.373000  
1 1 1 26 5  43 o 4.9680  0.5280 1.151000       1.056000  
1 1 1 26 5  44 o 2.2800  0.6783 -0.4015000     1.357000  
1 1 1 26 5  45 o 2.4540  0.6686 -0.5667000     1.337000  
1 1 1 26 5  46 o 2.5210  0.6029 1.709000       1.206000  
1 1 1 26 5  47 o 5.2430  0.4709 -0.3476000     0.9418000 
1 1 1 26 5  48 o 2.6730  0.6781 -0.9567000     1.356000  
1 1 1 26 5  49 o 2.1640  0.6690 -0.6593000     1.338000  
1 1 1 26 5  50 o 2.7780  0.7070 0.2924000      1.414000  
1 1 1 26 5  51 o 3.1420  0.6821 0.7572000      1.364000  
1 1 1 26 5  52 o 3.3080  0.6843 -0.6057000E-01 1.369000  
1 1 1 26 5  53 o 2.5420  0.6287 1.305000       1.257000  
1 1 1 26 6  0  o 1.6180  1.0660 0.000000       0.000000  
1 1 1 26 6  1  o 4.5520  0.6992 2.082000       1.398000  
1 1 1 26 6  2  o 3.8030  0.7850 -0.1536000     1.570000  
1 1 1 26 6  3  o 3.4140  0.7604 0.7928000      1.521000  
1 1 1 26 6  4  f 19.070  0.2245 0.3831000      0.4490000 
1 1 1 26 6  5  o 4.2770  0.6687 1.583000       1.337000  
1 1 1 26 6  6  o 5.9280  0.4738 -0.7878000     0.9477000 
1 1 1 26 6  7  f 15.800  0.2427 -0.3264000     0.4855000 
1 1 1 26 6  8  o 3.2060  0.7743 0.9652000      1.549000  
1 1 1 26 6  9  o 9.4160  0.3463 -0.1179000     0.6926000 
1 1 1 26 6  10 o 11.130  0.2698 -0.2440000     0.5396000 
1 1 1 26 6  11 f 7.4200  0.4042 -0.2578000     0.8083000 
1 1 1 26 6  12 o 9.9270  0.3103 -0.5416000     0.6206000 
1 1 1 26 6  13 o 9.3560  0.3293 0.2830000      0.6585000 
1 1 1 26 6  14 o 10.580  0.3105 0.5913000      0.6210000 
1 1 1 26 6  15 o 5.3820  0.5360 -2.015000      1.072000  
1 1 1 26 6  16 o 6.2020  0.4698 0.2728000      0.9397000 
1 1 1 26 6  17 o 10.600  0.3294 0.8433000      0.6589000 
1 1 1 26 6  18 o 10.620  0.3230 -0.2758000     0.6459000 
1 1 1 26 6  19 o 13.750  0.2710 1.460000       0.5420000 
1 1 1 26 6  20 o 1.7910  0.6007 -0.6947000E-01 1.201000  
1 1 1 26 6  21 o 6.7150  0.4902 1.761000       0.9805000 
1 1 1 26 6  22 o 2.2970  0.6973 -0.2694000     1.395000  
1 1 1 26 6  23 o 6.7190  0.5094 1.830000       1.019000  
1 1 1 26 6  24 o 5.2970  0.6332 1.635000       1.266000  
1 1 1 26 6  25 o 2.5650  0.7137 -1.340000      1.427000  
1 1 1 26 6  26 o 3.9750  0.7554 -1.141000      1.511000  
1 1 1 26 6  27 o 10.480  0.3403 -0.8969000     0.6807000 
1 1 1 26 6  28 o 13.700  0.2848 0.7341000      0.5696000 
1 1 1 26 6  29 o 4.5630  0.7045 -0.9476000     1.409000  
1 1 1 26 6  30 o 3.8930  0.6967 0.8097000      1.393000  
1 1 1 26 6  31 o 7.8920  0.3968 1.588000       0.7937000 
1 1 1 26 6  32 o 6.4280  0.4935 1.851000       0.9869000 
1 1 1 26 6  33 o 2.1620  0.6498 -0.3842000     1.300000  
1 1 1 26 6  34 o 2.0980  0.6552 -0.3808000     1.310000  
1 1 1 26 6  35 o 3.0020  0.8392 1.809000       1.678000  
1 1 1 26 6  36 o 2.2390  0.6822 0.2896000      1.364000  
1 1 1 26 6  37 o 4.5810  0.6443 3.266000       1.289000  
1 1 1 26 6  38 o 3.5180  0.7526 0.6943000      1.505000  
1 1 1 26 6  39 o 6.0960  0.4040 -0.4020000     0.8079000 
1 1 1 26 6  40 o 5.1450  0.4840 -0.2540000     0.9680000 
1 1 1 26 6  41 o 1.6530  0.5449 -0.7165000E-01 1.090000  
1 1 1 26 6  42 o 3.2240  0.6528 -0.4810000     1.306000  
1 1 1 26 6  43 o 5.6140  0.4267 0.5650000E-01  0.8535000 
1 1 1 26 6  44 o 5.4440  0.4366 -0.3605000     0.8731000 
1 1 1 26 6  45 o 4.1370  0.6331 -0.2156000     1.266000  
1 1 1 26 6  46 o 3.1380  0.6605 -0.5100000     1.321000  
1 1 1 26 6  47 o 2.5180  0.7085 -0.8750000     1.417000  
1 1 1 26 6  48 o 2.9280  0.6492 1.171000       1.298000  
1 1 1 26 6  49 o 2.4750  0.6808 0.1975000      1.362000  
1 1 1 26 6  50 o 2.6600  0.6809 0.6395000E-01  1.362000  
1 1 1 26 6  51 o 1.7310  0.5433 0.8762000      1.087000  
1 1 1 26 6  52 o 3.6890  0.5773 -2.537000      1.155000  
1 1 1 26 6  53 o 1.5230  0.5073 0.6361000      1.015000  
1 1 1 26 7  0  o 4.3740  1.0150 0.000000       0.000000  
1 1 1 26 7  1  o 2.9800  0.7364 -0.5699000     1.473000  
1 1 1 26 7  2  o 5.7830  0.5572 -2.851000      1.114000  
1 1 1 26 7  3  o 1.9400  0.6365 -0.3885000     1.273000  
1 1 1 26 7  4  o 5.1310  0.6262 1.372000       1.252000  
1 1 1 26 7  5  o 7.8990  0.4062 1.019000       0.8123000 
1 1 1 26 7  6  o 5.5240  0.5651 -0.3552000     1.130000  
1 1 1 26 7  7  o 2.6040  0.7631 -0.2898000     1.526000  
1 1 1 26 7  8  o 4.5170  0.6909 1.094000       1.382000  
1 1 1 26 7  9  o 4.5220  0.7019 -0.4107000     1.404000  
1 1 1 26 7  10 o 17.960  0.2126 0.1831000      0.4252000 
1 1 1 26 7  11 o 5.9380  0.5592 0.4367000      1.118000  
1 1 1 26 7  12 o 2.8920  0.7424 0.6193000      1.485000  
1 1 1 26 7  13 f 2.8010  0.7412 -0.5571000     1.482000  
1 1 1 26 7  14 o 9.8110  0.2882 0.8737000      0.5763000 
1 1 1 26 7  15 o 4.5470  0.6239 -0.5645000     1.248000  
1 1 1 26 7  16 o 2.9830  0.7559 0.9857000      1.512000  
1 1 1 26 7  17 o 2.6150  0.7333 0.4832000E-01  1.467000  
1 1 1 26 7  18 o 5.0150  0.5955 2.833000       1.191000  
1 1 1 26 7  19 o 4.9880  0.6227 0.1352000      1.245000  
1 1 1 26 7  20 o 4.5860  0.6639 -0.6124000     1.328000  
1 1 1 26 7  21 o 2.8420  0.7527 1.129000       1.505000  
1 1 1 26 7  22 o 3.9680  0.7511 -1.483000      1.502000  
1 1 1 26 7  23 o 3.2070  0.7739 1.020000       1.548000  
1 1 1 26 7  24 o 4.0620  0.7560 -0.1788000     1.512000  
1 1 1 26 7  25 o 7.4190  0.4488 -0.5674000     0.8976000 
1 1 1 26 7  26 o 3.3560  0.7242 -1.534000      1.448000  
1 1 1 26 7  27 o 5.5510  0.5401 0.6616000      1.080000  
1 1 1 26 7  28 o 3.0430  0.7331 -1.085000      1.466000  
1 1 1 26 7  29 o 5.2760  0.5446 -0.1203000     1.089000  
1 1 1 26 7  30 o 3.9180  0.7082 -0.3201000     1.416000  
1 1 1 26 7  31 o 6.4620  0.4956 1.912000       0.9912000 
1 1 1 26 7  32 o 10.530  0.2762 -0.4128000     0.5525000 
1 1 1 26 7  33 o 7.7130  0.3575 -0.1388000     0.7150000 
1 1 1 26 7  34 o 2.7480  0.8166 1.722000       1.633000  
1 1 1 26 7  35 o 5.1000  0.6612 -1.452000      1.322000  
1 1 1 26 7  36 o 9.0610  0.3817 1.340000       0.7635000 
1 1 1 26 7  37 o 6.2350  0.5806 -2.831000      1.161000  
1 1 1 26 7  38 o 3.9620  0.7176 0.7784000      1.435000  
1 1 1 26 7  39 o 3.4750  0.7079 -0.4550000     1.416000  
1 1 1 26 7  40 o 5.3320  0.4671 0.1742000      0.9342000 
1 1 1 26 7  41 o 5.1420  0.4608 -1.954000      0.9215000 
1 1 1 26 7  42 o 1.8340  0.5794 -0.5817000E-01 1.159000  
1 1 1 26 7  43 o 3.2480  0.6557 -0.6582000     1.311000  
1 1 1 26 7  44 o 2.7310  0.6548 -1.433000      1.310000  
1 1 1 26 7  45 f 3.4480  0.6992 -0.4662000     1.398000  
1 1 1 26 7  46 o 5.0140  0.5785 -0.3155000     1.157000  
1 1 1 26 7  47 o 2.0250  0.6262 0.5958000E-01  1.252000  
1 1 1 26 7  48 o 3.3690  0.6285 1.597000       1.257000  
1 1 1 26 7  49 o 2.8410  0.6439 -1.242000      1.288000  
1 1 1 26 7  50 o 1.6510  0.5635 0.3460000      1.127000  
1 1 1 26 7  51 o 3.2450  0.7513 0.3990000      1.503000  
1 1 1 26 7  52 o 3.8310  0.7174 -0.5443000     1.435000  
1 1 1 26 7  53 o 7.1520  0.6979 ?              ?         
1 1 1 26 8  0  o 1.6190  1.0370 0.000000       0.000000  
1 1 1 26 8  1  o 3.2060  0.7250 0.7855000      1.450000  
1 1 1 26 8  2  o 3.7740  0.7099 -0.7893000E-01 1.420000  
1 1 1 26 8  3  o 2.4290  0.6981 -0.2545000     1.396000  
1 1 1 26 8  4  o 6.7440  0.4225 0.2290000      0.8450000 
1 1 1 26 8  5  o 10.270  0.2938 -0.9687000E-01 0.5876000 
1 1 1 26 8  6  o 3.1350  0.7663 0.3006000      1.533000  
1 1 1 26 8  7  o 13.200  0.2820 0.1735000      0.5641000 
1 1 1 26 8  8  o 5.9460  0.5978 1.918000       1.196000  
1 1 1 26 8  9  o 4.2950  0.7175 2.246000       1.435000  
1 1 1 26 8  10 o 3.3470  0.6096 -2.878000      1.219000  
1 1 1 26 8  11 o 7.7560  0.5005 ?              ?         
1 1 1 26 8  12 o 8.7730  0.3668 -0.1820000     0.7336000 
1 1 1 26 8  13 o 3.3340  0.7680 -0.8220000     1.536000  
1 1 1 26 8  14 o 3.3800  0.7234 -0.2150000     1.447000  
1 1 1 26 8  15 o 3.8670  0.6754 1.001000       1.351000  
1 1 1 26 8  16 o 9.2410  0.3177 2.049000       0.6353000 
1 1 1 26 8  17 o 4.4580  0.6792 0.9069000E-01  1.358000  
1 1 1 26 8  18 o 2.8230  0.7079 -0.9690000     1.416000  
1 1 1 26 8  19 o 6.8190  0.4955 -0.8211000     0.9911000 
1 1 1 26 8  20 o 6.3520  0.5087 -1.538000      1.017000  
1 1 1 26 8  21 f 10.790  0.3409 0.2703000      0.6818000 
1 1 1 26 8  22 o 8.0390  0.4291 -0.6468000     0.8583000 
1 1 1 26 8  23 o 2.1870  0.6712 0.1973000      1.342000  
1 1 1 26 8  24 o 2.8950  0.7369 -0.9281000     1.474000  
1 1 1 26 8  25 o 9.0270  0.3400 -0.7401000E-01 0.6801000 
1 1 1 26 8  26 o 5.0450  0.5742 -0.4639000     1.148000  
1 1 1 26 8  27 o 5.4730  0.5504 0.7238000      1.101000  
1 1 1 26 8  28 o 5.4900  0.5293 -0.4082000     1.059000  
1 1 1 26 8  29 o 6.4350  0.4812 1.252000       0.9624000 
1 1 1 26 8  30 o 7.4890  0.3998 -0.1525000     0.7995000 
1 1 1 26 8  31 o 2.7980  0.7319 -0.5163000     1.464000  
1 1 1 26 8  32 o 8.0980  0.3515 1.195000       0.7030000 
1 1 1 26 8  33 o 6.4560  0.7376 -1.797000      1.475000  
1 1 1 26 8  34 o 4.7400  0.7032 1.875000       1.406000  
1 1 1 26 8  35 o 2.7740  0.7315 -1.676000      1.463000  
1 1 1 26 8  36 o 2.6040  0.9527 ?              ?         
1 1 1 26 8  37 o 3.9940  0.6635 1.904000       1.327000  
1 1 1 26 8  38 o 4.7030  0.5962 1.081000       1.192000  
1 1 1 26 8  39 f 5.6240  0.4873 0.3150000      0.9746000 
1 1 1 26 8  40 o 4.8760  0.4892 -0.6230000     0.9784000 
1 1 1 26 8  41 o 6.9170  0.3419 0.2118000      0.6839000 
1 1 1 26 8  42 o 3.8010  0.5931 1.793000       1.186000  
1 1 1 26 8  43 o 2.3810  0.6406 -0.7643000     1.281000  
1 1 1 26 8  44 o 2.0600  0.6122 -0.1436000     1.224000  
1 1 1 26 8  45 o 4.5530  0.4844 0.4911000      0.9687000 
1 1 1 26 8  46 o 1.7880  0.5524 -1.105000      1.105000  
1 1 1 26 8  47 o 1.6310  0.5340 -0.2628000E-01 1.068000  
1 1 1 26 8  48 o 2.6320  0.6178 0.4757000      1.236000  
1 1 1 26 8  49 o 2.8720  0.6263 -0.9486000     1.253000  
1 1 1 26 8  50 o 4.0280  0.5244 -1.775000      1.049000  
1 1 1 26 8  51 o 1.9230  0.5732 0.2148000      1.146000  
1 1 1 26 8  52 o 2.2620  0.6032 -1.423000      1.206000  
1 1 1 26 9  0  f 6.0840  0.6614 0.000000       0.000000  
1 1 1 26 9  1  o 7.8410  0.3643 -0.5483000     0.7287000 
1 1 1 26 9  2  o 4.8700  0.5836 0.1385000      1.167000  
1 1 1 26 9  3  o 5.1970  0.5520 1.058000       1.104000  
1 1 1 26 9  4  o 3.7920  0.7077 0.2371000      1.415000  
1 1 1 26 9  5  o 19.220  0.2036 0.5853000      0.4071000 
1 1 1 26 9  6  o 5.6980  0.5009 0.3392000      1.002000  
1 1 1 26 9  7  o 5.1050  0.6710 0.9906000      1.342000  
1 1 1 26 9  8  o 3.2310  0.7808 0.4072000      1.562000  
1 1 1 26 9  9  o 5.3940  0.5863 -0.1163000     1.173000  
1 1 1 26 9  10 o 7.3860  0.3804 -0.1558000     0.7607000 
1 1 1 26 9  11 o 4.1350  0.7739 0.9941000      1.548000  
1 1 1 26 9  12 o 3.7350  0.7476 1.445000       1.495000  
1 1 1 26 9  13 o 3.2590  0.7017 -1.038000      1.403000  
1 1 1 26 9  14 o 9.2910  0.3040 0.6936000      0.6080000 
1 1 1 26 9  15 o 7.7500  0.3511 -0.6922000E-01 0.7021000 
1 1 1 26 9  16 o 8.5260  0.3244 -0.5389000     0.6487000 
1 1 1 26 9  17 o 4.6810  0.5823 0.7583000      1.165000  
1 1 1 26 9  18 o 2.9660  0.7658 0.2847000      1.532000  
1 1 1 26 9  19 o 5.0710  0.8031 -0.3988000     1.606000  
1 1 1 26 9  20 o 2.4300  0.7073 1.235000       1.415000  
1 1 1 26 9  21 o 3.0440  0.7575 -1.369000      1.515000  
1 1 1 26 9  22 o 3.7120  0.7588 1.452000       1.518000  
1 1 1 26 9  23 o 6.0560  0.5167 0.7919000      1.033000  
1 1 1 26 9  24 o 2.4750  0.7095 -1.067000      1.419000  
1 1 1 26 9  25 o 9.7370  0.3310 0.9972000      0.6621000 
1 1 1 26 9  26 o 2.5550  0.7078 -1.379000      1.416000  
1 1 1 26 9  27 o 5.9300  0.4943 -0.2854000     0.9886000 
1 1 1 26 9  28 o 5.9770  0.4984 0.4987000      0.9968000 
1 1 1 26 9  29 o 2.3420  0.6926 -0.1552000     1.385000  
1 1 1 26 9  30 o 6.4280  0.4546 -0.4663000     0.9091000 
1 1 1 26 9  31 o 3.3450  0.7509 0.1891000      1.502000  
1 1 1 26 9  32 o 2.2260  0.6778 0.6835000      1.356000  
1 1 1 26 9  33 o 3.3570  0.7905 -1.093000      1.581000  
1 1 1 26 9  34 o 8.3660  0.4243 0.3947000      0.8485000 
1 1 1 26 9  35 o 11.300  0.3075 0.5960000      0.6151000 
1 1 1 26 9  36 o 1.9860  0.6186 -0.4825000     1.237000  
1 1 1 26 9  37 o 5.7900  0.4718 0.5421000      0.9437000 
1 1 1 26 9  38 o 2.2590  0.6544 0.2367000E-01  1.309000  
1 1 1 26 9  39 o 7.2930  0.3495 0.7024000      0.6991000 
1 1 1 26 9  40 o 2.3600  0.6146 0.5450000      1.229000  
1 1 1 26 9  41 o 4.2670  0.4969 -0.1992000     0.9938000 
1 1 1 26 9  42 o 3.9610  0.5803 -1.539000      1.161000  
1 1 1 26 9  43 o 5.4230  0.5152 1.940000       1.030000  
1 1 1 26 9  44 o 2.1820  0.6183 -0.3903000E-01 1.237000  
1 1 1 26 9  45 o 2.6760  0.6361 -0.2854000     1.272000  
1 1 1 26 9  46 o 3.0510  0.6066 -1.302000      1.213000  
1 1 1 26 9  47 o 1.9830  0.5710 0.4036000      1.142000  
1 1 1 26 9  48 o 2.3510  0.5964 0.8059000      1.193000  
1 1 1 26 9  49 o 4.0840  0.5206 -0.1814000     1.041000  
1 1 1 26 9  50 o 3.7530  0.5645 0.5779000      1.129000  
1 1 1 26 9  51 o 3.6220  0.5713 -0.5690000     1.143000  
1 1 1 26 10 0  o 5.2350  0.7890 0.000000       0.000000  
1 1 1 26 10 1  o 5.1720  0.5401 -0.2587000     1.080000  
1 1 1 26 10 2  o 5.5470  0.5158 -1.565000      1.032000  
1 1 1 26 10 3  o 4.8490  0.5869 0.8421000      1.174000  
1 1 1 26 10 4  o 6.5260  0.4330 -1.444000      0.8660000 
1 1 1 26 10 5  o 6.9100  0.4086 -0.1726000E-01 0.8173000 
1 1 1 26 10 6  o 14.100  0.2354 0.1414000      0.4707000 
1 1 1 26 10 7  o 6.7140  0.4725 -0.3204000     0.9451000 
1 1 1 26 10 8  o 10.440  0.3191 -0.3536000     0.6382000 
1 1 1 26 10 9  f 7.7410  0.4460 1.963000       0.8920000 
1 1 1 26 10 10 o 9.2060  0.4210 0.1356000      0.8419000 
1 1 1 26 10 11 f 8.9160  0.4238 -0.4695000     0.8475000 
1 1 1 26 10 12 o 12.350  0.3319 0.4762000      0.6638000 
1 1 1 26 10 13 o 13.580  0.2568 1.163000       0.5136000 
1 1 1 26 10 14 o 2.1430  0.6672 -0.4681000     1.334000  
1 1 1 26 10 15 o 5.3930  0.4796 0.2844000      0.9591000 
1 1 1 26 10 16 o 4.4000  0.6063 1.843000       1.213000  
1 1 1 26 10 17 o 8.0510  0.3952 -1.232000      0.7905000 
1 1 1 26 10 18 o 6.2590  0.4837 0.4484000      0.9674000 
1 1 1 26 10 19 o 12.440  0.2809 0.4696000      0.5619000 
1 1 1 26 10 20 o 7.0090  0.4455 -0.6848000     0.8911000 
1 1 1 26 10 21 o 10.660  0.2749 -0.2473000     0.5497000 
1 1 1 26 10 22 o 6.1350  0.6887 1.408000       1.377000  
1 1 1 26 10 23 o 11.570  0.2959 -0.4065000E-01 0.5918000 
1 1 1 26 10 24 o 11.190  0.2999 0.2566000      0.5998000 
1 1 1 26 10 25 o 6.9450  0.4413 0.7035000      0.8825000 
1 1 1 26 10 26 o 3.2110  0.6813 1.358000       1.363000  
1 1 1 26 10 27 o 8.4880  0.3130 -0.1711000     0.6260000 
1 1 1 26 10 28 o 2.7750  0.6885 -0.1245000     1.377000  
1 1 1 26 10 29 o 5.8600  0.5095 1.946000       1.019000  
1 1 1 26 10 30 o 5.6540  0.4380 1.116000       0.8760000 
1 1 1 26 10 31 o 6.0200  0.4143 0.6808000      0.8286000 
1 1 1 26 10 32 o 8.1200  0.3760 0.4550000      0.7521000 
1 1 1 26 10 33 o 8.8540  0.3989 0.1975000      0.7978000 
1 1 1 26 10 34 o 2.6610  0.6881 0.9234000      1.376000  
1 1 1 26 10 35 o 5.6390  0.4779 1.476000       0.9558000 
1 1 1 26 10 36 f 3.3940  0.6478 1.777000       1.296000  
1 1 1 26 10 37 o 1.9900  0.6098 -0.3366000     1.220000  
1 1 1 26 10 38 o 4.8540  0.5058 0.6159000      1.012000  
1 1 1 26 10 39 o 7.1240  0.3350 -0.3056000     0.6700000 
1 1 1 26 10 40 o 1.5190  0.5068 -0.2586000     1.014000  
1 1 1 26 10 41 o 1.7170  0.5589 -0.2958000     1.118000  
1 1 1 26 10 42 o 4.2110  0.5050 -0.2240000     1.010000  
1 1 1 26 10 43 f 3.1820  0.6264 0.3757000E-01  1.253000  
1 1 1 26 10 44 f 3.8000  0.5808 2.637000       1.162000  
1 1 1 26 10 45 o 6.0560  0.3846 0.1267000E-01  0.7692000 
1 1 1 26 10 46 o 3.7120  0.5759 1.638000       1.152000  
1 1 1 26 10 47 o 5.1280  0.4459 -0.6707000E-01 0.8919000 
1 1 1 26 10 48 o 2.2740  0.6124 0.1427000      1.225000  
1 1 1 26 10 49 o 4.3680  0.5138 -0.7137000     1.028000  
1 1 1 26 10 50 o 7.0650  0.3281 -1.478000      0.6561000 
1 1 1 26 10 51 o 2.0700  0.5730 0.3506000      1.146000  
1 1 1 26 11 0  o 1.2200  0.8523 0.000000       0.000000  
1 1 1 26 11 1  o 12.850  0.2471 -0.1021000     0.4942000 
1 1 1 26 11 2  o 3.8320  0.6883 0.3676000      1.377000  
1 1 1 26 11 3  o 4.1970  0.6356 1.828000       1.271000  
1 1 1 26 11 4  o 10.190  0.2864 0.3954000      0.5727000 
1 1 1 26 11 5  o 10.520  0.2808 -0.5864000     0.5617000 
1 1 1 26 11 6  o 3.8740  0.6821 1.096000       1.364000  
1 1 1 26 11 7  o 6.1180  0.5376 -0.1307000     1.075000  
1 1 1 26 11 8  o 4.5740  0.7100 -0.1234000     1.420000  
1 1 1 26 11 9  o 14.530  0.2463 -0.4756000     0.4926000 
1 1 1 26 11 10 o 8.8180  0.4288 0.8275000E-02  0.8577000 
1 1 1 26 11 11 o 9.6640  0.4191 1.737000       0.8382000 
1 1 1 26 11 12 o 2.3370  0.6985 -0.8823000     1.397000  
1 1 1 26 11 13 o 10.290  0.3022 0.1021000      0.6043000 
1 1 1 26 11 14 o 7.2160  0.4002 0.1896000      0.8004000 
1 1 1 26 11 15 o 12.960  0.2523 -0.7517000     0.5046000 
1 1 1 26 11 16 o 2.8090  0.7365 -1.238000      1.473000  
1 1 1 26 11 17 o 2.9710  0.7118 -1.831000      1.424000  
1 1 1 26 11 18 f 8.3480  0.3693 0.1799000      0.7386000 
1 1 1 26 11 19 o 8.0110  0.3643 0.2493000      0.7287000 
1 1 1 26 11 20 o 9.9520  0.2567 -0.7891000E-01 0.5135000 
1 1 1 26 11 21 o 7.4080  0.3526 0.8842000      0.7052000 
1 1 1 26 11 22 o 5.2860  0.5367 -0.1839000     1.073000  
1 1 1 26 11 23 o 3.8050  0.7051 0.1227000      1.410000  
1 1 1 26 11 24 o 8.0340  0.3668 -0.2539000     0.7337000 
1 1 1 26 11 25 o 2.1800  0.6465 -0.4553000     1.293000  
1 1 1 26 11 26 o 4.6030  0.6198 -0.3884000     1.240000  
1 1 1 26 11 27 o 2.4010  0.6733 -0.2440000     1.347000  
1 1 1 26 11 28 o 8.7360  0.3540 0.3416000      0.7080000 
1 1 1 26 11 29 o 3.0460  0.6921 -0.6815000     1.384000  
1 1 1 26 11 30 o 3.1160  0.7366 -0.2152000     1.473000  
1 1 1 26 11 31 o 2.4150  0.7193 -0.2398000     1.439000  
1 1 1 26 11 32 o 3.4120  0.8254 0.4197000      1.651000  
1 1 1 26 11 33 o 2.0130  0.6656 -0.4210000     1.331000  
1 1 1 26 11 34 o 3.3850  0.6836 0.9951000      1.367000  
1 1 1 26 11 35 o 3.5030  0.6872 1.343000       1.374000  
1 1 1 26 11 36 o 2.1830  0.6479 0.1754000      1.296000  
1 1 1 26 11 37 o 4.7670  0.5440 0.1734000      1.088000  
1 1 1 26 11 38 o 5.8860  0.4245 -0.1121000     0.8491000 
1 1 1 26 11 39 o 6.0120  0.4294 0.6173000      0.8588000 
1 1 1 26 11 40 o 6.0550  0.4950 0.6597000      0.9899000 
1 1 1 26 11 41 o 3.8950  0.5793 0.4761000      1.159000  
1 1 1 26 11 42 f 2.2420  0.6145 -0.2778000     1.229000  
1 1 1 26 11 43 o 7.4680  0.2859 -0.4156000     0.5718000 
1 1 1 26 11 44 o 5.1800  0.3904 -0.6638000     0.7808000 
1 1 1 26 11 45 o 3.8800  0.5357 1.286000       1.071000  
1 1 1 26 11 46 o 2.3160  0.5814 0.4202000      1.163000  
1 1 1 26 11 47 o 2.6660  0.5750 0.6574000      1.150000  
1 1 1 26 11 48 f 2.0230  0.5811 -0.8967000     1.162000  
1 1 1 26 11 49 o 2.2750  0.5996 -1.098000      1.199000  
1 1 1 26 11 50 o 3.3180  0.6101 -0.9866000     1.220000  
1 1 1 26 12 0  o 12.990  0.3454 0.000000       0.000000  
1 1 1 26 12 1  o 7.0780  0.3889 0.1311000      0.7777000 
1 1 1 26 12 2  o 1.9260  0.6169 -0.1249000     1.234000  
1 1 1 26 12 3  o 9.8300  0.2924 0.4690000      0.5848000 
1 1 1 26 12 4  o 3.5480  0.6998 -0.6811000     1.400000  
1 1 1 26 12 5  o 3.2240  0.6113 2.494000       1.223000  
1 1 1 26 12 6  o 7.5310  0.4356 0.4764000      0.8713000 
1 1 1 26 12 7  o 7.2450  0.4503 -0.3400000     0.9006000 
1 1 1 26 12 8  o 4.8930  0.6635 -0.3381000E-03 1.327000  
1 1 1 26 12 9  o 8.0780  0.3910 1.737000       0.7820000 
1 1 1 26 12 10 o 4.5920  0.7405 0.4334000      1.481000  
1 1 1 26 12 11 o 10.950  0.2977 0.5228000      0.5955000 
1 1 1 26 12 12 o 2.8210  0.6806 -1.221000      1.361000  
1 1 1 26 12 13 o 7.3000  0.3571 0.4056000      0.7143000 
1 1 1 26 12 14 o 7.1920  0.3600 0.5865000      0.7200000 
1 1 1 26 12 15 o 2.1540  0.6324 -0.8754000     1.265000  
1 1 1 26 12 16 f 3.7810  0.7022 -0.9951000     1.404000  
1 1 1 26 12 17 o 8.2680  0.3652 -0.3385000E-01 0.7304000 
1 1 1 26 12 18 o 10.630  0.3031 -0.1088000     0.6062000 
1 1 1 26 12 19 o 7.4110  0.3410 -0.1303000     0.6819000 
1 1 1 26 12 20 o 2.4440  0.6762 -0.4496000     1.352000  
1 1 1 26 12 21 o 12.350  0.2389 0.1521000      0.4777000 
1 1 1 26 12 22 o 3.6760  0.6509 -0.4870000     1.302000  
1 1 1 26 12 23 o 5.2430  0.5637 2.493000       1.127000  
1 1 1 26 12 24 o 4.2640  0.5569 -1.262000      1.114000  
1 1 1 26 12 25 o 2.5780  0.6748 0.4870000E-01  1.350000  
1 1 1 26 12 26 o 9.0450  0.3991 1.054000       0.7982000 
1 1 1 26 12 27 o 2.8420  0.7359 -0.2691000     1.472000  
1 1 1 26 12 28 o 1.7440  0.5740 -0.1242000     1.148000  
1 1 1 26 12 29 o 3.8150  0.6645 0.2985000      1.329000  
1 1 1 26 12 30 o 9.2170  0.3340 0.8852000      0.6679000 
1 1 1 26 12 31 o 3.0030  0.7738 0.2389000      1.548000  
1 1 1 26 12 32 o 10.390  0.3360 0.4318000      0.6719000 
1 1 1 26 12 33 o 3.4230  0.6794 -1.006000      1.359000  
1 1 1 26 12 34 o 4.5180  0.5896 -1.528000      1.179000  
1 1 1 26 12 35 o 3.1050  0.6776 0.2931000      1.355000  
1 1 1 26 12 36 o 3.2720  0.6023 -2.085000      1.205000  
1 1 1 26 12 37 o 4.4510  0.5717 1.606000       1.143000  
1 1 1 26 12 38 o 5.1150  0.4954 -0.8266000     0.9908000 
1 1 1 26 12 39 o 5.1740  0.4703 1.472000       0.9407000 
1 1 1 26 12 40 o 4.2910  0.5659 -0.9948000     1.132000  
1 1 1 26 12 41 o 2.3610  0.6090 -1.091000      1.218000  
1 1 1 26 12 42 o 1.9220  0.5686 0.3041000      1.137000  
1 1 1 26 12 43 o 4.5190  0.4640 0.2613000      0.9280000 
1 1 1 26 12 44 o 3.8490  0.5283 0.6428000      1.057000  
1 1 1 26 12 45 o 1.8720  0.5483 -1.555000      1.097000  
1 1 1 26 12 46 o 2.4930  0.5605 0.5407000      1.121000  
1 1 1 26 12 47 o 4.2720  0.4347 -0.7095000     0.8694000 
1 1 1 26 12 48 o 2.3320  0.5601 0.1037000      1.120000  
1 1 1 26 12 49 o 1.7030  0.5573 -0.1523000     1.115000  
1 1 1 26 13 0  o 2.3410  1.1310 0.000000       0.000000  
1 1 1 26 13 1  f 2.2910  0.6374 0.3888000      1.275000  
1 1 1 26 13 2  o 5.5610  0.4202 1.299000       0.8404000 
1 1 1 26 13 3  o 1.6590  0.5481 0.3515000      1.096000  
1 1 1 26 13 4  o 2.2780  0.6237 0.9816000      1.247000  
1 1 1 26 13 5  o 6.6130  0.3694 -1.344000      0.7387000 
1 1 1 26 13 6  o 6.2710  0.4202 0.3742000      0.8404000 
1 1 1 26 13 7  o 7.8140  0.3379 -0.4024000     0.6758000 
1 1 1 26 13 8  o 6.8400  0.3562 -0.3344000     0.7124000 
1 1 1 26 13 9  o 9.5860  0.3725 0.2161000      0.7449000 
1 1 1 26 13 10 o 8.3260  0.4179 0.8279000E-01  0.8358000 
1 1 1 26 13 11 o 6.3800  0.4036 1.103000       0.8073000 
1 1 1 26 13 12 o 13.110  0.2161 0.1169000      0.4321000 
1 1 1 26 13 13 o 2.5120  0.6634 -1.028000      1.327000  
1 1 1 26 13 14 o 3.8170  0.6347 -0.1510000     1.269000  
1 1 1 26 13 15 o 5.4310  0.4651 -0.8196000     0.9302000 
1 1 1 26 13 16 o 2.3750  0.6915 0.9816000      1.383000  
1 1 1 26 13 17 o 2.1560  0.6532 -0.5196000     1.306000  
1 1 1 26 13 18 o 5.2970  0.5427 0.7900000      1.085000  
1 1 1 26 13 19 o 7.4100  0.3364 0.1569000      0.6727000 
1 1 1 26 13 20 o 4.1260  0.6667 0.2689000      1.333000  
1 1 1 26 13 21 f 10.710  0.3048 1.540000       0.6096000 
1 1 1 26 13 22 o 8.3030  0.3644 0.5282000      0.7288000 
1 1 1 26 13 23 o 4.5240  0.5018 -0.1704000     1.004000  
1 1 1 26 13 24 o 4.4910  0.5076 -0.4265000     1.015000  
1 1 1 26 13 25 o 4.0160  0.6499 1.351000       1.300000  
1 1 1 26 13 26 o 2.6060  0.6678 -0.8563000     1.336000  
1 1 1 26 13 27 o 3.9500  0.7067 1.254000       1.413000  
1 1 1 26 13 28 o 4.3190  0.5858 2.078000       1.172000  
1 1 1 26 13 29 o 7.0230  0.4331 0.4368000      0.8662000 
1 1 1 26 13 30 o 6.9630  0.3865 0.8809000      0.7730000 
1 1 1 26 13 31 o 2.8330  0.6809 -0.4174000     1.362000  
1 1 1 26 13 32 o 2.2240  0.6333 -0.3228000     1.267000  
1 1 1 26 13 33 o 4.1520  0.5719 1.257000       1.144000  
1 1 1 26 13 34 o 5.2440  0.4211 0.6027000      0.8422000 
1 1 1 26 13 35 o 3.0230  0.6547 0.5855000      1.309000  
1 1 1 26 13 36 o 6.0030  0.3768 -0.2586000     0.7537000 
1 1 1 26 13 37 o 2.4530  0.6110 0.3638000      1.222000  
1 1 1 26 13 38 o 1.9850  0.5797 -0.9195000     1.159000  
1 1 1 26 13 39 o 2.9220  0.5817 0.3856000      1.163000  
1 1 1 26 13 40 o 2.9590  0.5891 -0.2382000     1.178000  
1 1 1 26 13 41 o 2.1870  0.5793 -0.9741000     1.159000  
1 1 1 26 13 42 o 2.6990  0.5551 0.1771000      1.110000  
1 1 1 26 13 43 o 2.8190  0.5460 0.2849000      1.092000  
1 1 1 26 13 44 o 2.4080  0.5377 0.7845000      1.075000  
1 1 1 26 13 45 o 1.8330  0.5372 -0.1716000     1.074000  
1 1 1 26 13 46 o 5.5710  0.4238 -0.2263000     0.8476000 
1 1 1 26 13 47 o 5.1200  0.4598 0.2990000E-01  0.9196000 
1 1 1 26 13 48 o 2.7730  0.6669 -0.6967000     1.334000  
1 1 1 26 14 0  o 4.1360  0.8338 0.000000       0.000000  
1 1 1 26 14 1  o 6.9080  0.3257 -0.2189000     0.6514000 
1 1 1 26 14 2  o 6.8000  0.3491 -0.1653000     0.6982000 
1 1 1 26 14 3  o 8.4590  0.2909 0.1276000      0.5817000 
1 1 1 26 14 4  o 2.9060  0.6415 -1.561000      1.283000  
1 1 1 26 14 5  o 6.2850  0.4131 -0.5184000E-01 0.8261000 
1 1 1 26 14 6  o 13.180  0.2288 0.2859000      0.4575000 
1 1 1 26 14 7  o 6.7140  0.3934 -0.2876000     0.7868000 
1 1 1 26 14 8  o 8.3930  0.3804 ?              ?         
1 1 1 26 14 9  o 11.420  0.3199 0.3484000      0.6398000 
1 1 1 26 14 10 f 2.2190  0.6440 0.4285000      1.288000  
1 1 1 26 14 11 o 6.3050  0.3883 1.250000       0.7767000 
1 1 1 26 14 12 o 4.8500  0.4921 0.4326000      0.9842000 
1 1 1 26 14 13 o 3.1590  0.6835 -0.5557000     1.367000  
1 1 1 26 14 14 f 2.0100  0.6169 0.2622000      1.234000  
1 1 1 26 14 15 o 8.4930  0.3070 -0.6814000E-01 0.6141000 
1 1 1 26 14 16 o 8.6750  0.3010 -0.6682000     0.6021000 
1 1 1 26 14 17 o 2.7260  0.6907 -0.1420000     1.381000  
1 1 1 26 14 18 o 3.4880  0.5653 2.252000       1.131000  
1 1 1 26 14 19 o 2.1760  0.6208 -1.145000      1.242000  
1 1 1 26 14 20 o 11.060  0.2774 1.101000       0.5549000 
1 1 1 26 14 21 o 5.8200  0.4819 0.3985000      0.9639000 
1 1 1 26 14 22 o 7.6800  0.3301 0.3951000E-01  0.6602000 
1 1 1 26 14 23 o 8.1810  0.3082 -0.8091000E-01 0.6164000 
1 1 1 26 14 24 o 5.4790  0.4127 0.1773000      0.8253000 
1 1 1 26 14 25 o 6.7780  0.4080 0.6375000      0.8160000 
1 1 1 26 14 26 o 5.9530  0.3827 0.1653000      0.7654000 
1 1 1 26 14 27 o 3.6290  0.5879 -0.1984000     1.176000  
1 1 1 26 14 28 o 4.1590  0.5382 -0.8099000     1.076000  
1 1 1 26 14 29 o 5.4640  0.4599 1.228000       0.9198000 
1 1 1 26 14 30 o 5.3280  0.4784 0.4747000      0.9569000 
1 1 1 26 14 31 o 8.4420  0.3211 0.7804000      0.6421000 
1 1 1 26 14 32 o 1.7430  0.5564 -0.5684000E-01 1.113000  
1 1 1 26 14 33 o 2.3990  0.6449 -0.3909000     1.290000  
1 1 1 26 14 34 o 6.9430  0.3469 0.6886000      0.6937000 
1 1 1 26 14 35 o 5.5090  0.4357 -0.4466000     0.8714000 
1 1 1 26 14 36 o 5.4080  0.3855 0.5057000      0.7709000 
1 1 1 26 14 37 o 2.1510  0.5976 -0.4949000     1.195000  
1 1 1 26 14 38 o 3.1870  0.5503 1.932000       1.101000  
1 1 1 26 14 39 o 3.1200  0.5596 0.8455000      1.119000  
1 1 1 26 14 40 o 2.2960  0.5881 -0.2347000     1.176000  
1 1 1 26 14 41 o 2.7210  0.5441 0.2665000      1.088000  
1 1 1 26 14 42 o 2.3680  0.5749 -1.799000      1.150000  
1 1 1 26 14 43 o 3.0520  0.5608 -0.6343000     1.122000  
1 1 1 26 14 44 o 5.8030  0.3989 0.2330000      0.7978000 
1 1 1 26 14 45 o 2.2680  0.5934 1.171000       1.187000  
1 1 1 26 14 46 o 2.4890  0.6198 1.017000       1.240000  
1 1 1 26 14 47 o 4.6620  0.6399 0.7542000      1.280000  
1 1 1 26 15 0  o 5.5080  0.5720 0.000000       0.000000  
1 1 1 26 15 1  o 1.8490  0.5828 0.1555000      1.166000  
1 1 1 26 15 2  o 4.2130  0.5494 -0.8606000     1.099000  
1 1 1 26 15 3  o 2.9900  0.6483 0.9323000      1.297000  
1 1 1 26 15 4  o 10.140  0.2523 0.6324000      0.5045000 
1 1 1 26 15 5  o 8.9850  0.2977 -0.3621000     0.5954000 
1 1 1 26 15 6  o 8.2390  0.3197 0.8060000      0.6394000 
1 1 1 26 15 7  o 5.5900  0.4931 0.7350000      0.9862000 
1 1 1 26 15 8  o 9.0070  0.3729 -0.1864000     0.7458000 
1 1 1 26 15 9  o 7.6880  0.3582 0.3177000      0.7165000 
1 1 1 26 15 10 o 2.1040  0.6219 0.1100000      1.244000  
1 1 1 26 15 11 o 2.7000  0.6008 1.508000       1.202000  
1 1 1 26 15 12 o 12.140  0.2191 0.4838000      0.4382000 
1 1 1 26 15 13 o 5.0630  0.4680 0.7729000      0.9360000 
1 1 1 26 15 14 o 9.0170  0.2856 -0.1913000     0.5712000 
1 1 1 26 15 15 o 4.3650  0.5807 1.336000       1.161000  
1 1 1 26 15 16 o 6.0230  0.4131 -0.4852000     0.8262000 
1 1 1 26 15 17 o 2.8780  0.6305 -1.820000      1.261000  
1 1 1 26 15 18 f 6.5740  0.3611 1.074000       0.7221000 
1 1 1 26 15 19 o 1.9080  0.5941 0.2134000      1.188000  
1 1 1 26 15 20 o 2.0000  0.6249 0.1266000      1.250000  
1 1 1 26 15 21 o 2.8790  0.7052 -0.6571000     1.410000  
1 1 1 26 15 22 o 2.4600  0.6443 0.8693000      1.289000  
1 1 1 26 15 23 o 5.1470  0.5467 0.9326000      1.093000  
1 1 1 26 15 24 o 2.8100  0.6257 0.6303000      1.251000  
1 1 1 26 15 25 o 5.2810  0.4126 0.3007000      0.8251000 
1 1 1 26 15 26 o 4.8700  0.4568 1.607000       0.9136000 
1 1 1 26 15 27 o 2.0730  0.5938 0.1642000      1.188000  
1 1 1 26 15 28 o 7.3760  0.3049 -0.5074000     0.6098000 
1 1 1 26 15 29 o 5.5120  0.3879 0.1880000E-01  0.7758000 
1 1 1 26 15 30 o 2.8310  0.7091 -1.763000      1.418000  
1 1 1 26 15 31 o 4.1900  0.6476 0.7749000      1.295000  
1 1 1 26 15 32 o 2.5650  0.6265 -1.817000      1.253000  
1 1 1 26 15 33 o 3.2570  0.5759 0.4504000      1.152000  
1 1 1 26 15 34 o 3.7590  0.6212 -0.5081000     1.242000  
1 1 1 26 15 35 o 3.9050  0.5838 1.179000       1.168000  
1 1 1 26 15 36 o 3.3010  0.5521 0.9016000      1.104000  
1 1 1 26 15 37 o 6.1020  0.3760 1.851000       0.7520000 
1 1 1 26 15 38 o 3.8610  0.5169 0.4970000      1.034000  
1 1 1 26 15 39 o 3.6210  0.5182 -1.498000      1.036000  
1 1 1 26 15 40 o 6.1840  0.3094 -0.6201000     0.6188000 
1 1 1 26 15 41 o 1.8860  0.5845 -0.6073000     1.169000  
1 1 1 26 15 42 o 1.6420  0.4987 0.8383000E-01  0.9974000 
1 1 1 26 15 43 o 3.5070  0.6116 0.1945000      1.223000  
1 1 1 26 15 44 o 2.0240  0.6408 -0.2012000     1.282000  
1 1 1 26 15 45 o 3.8760  0.7168 -0.6802000     1.434000  
1 1 1 26 15 46 o 3.1830  0.6587 -1.934000      1.317000  
1 1 1 26 16 0  o 4.6440  0.7793 0.000000       0.000000  
1 1 1 26 16 1  o 4.8260  0.5028 0.9157000      1.006000  
1 1 1 26 16 2  o 5.5540  0.4161 -0.3687000     0.8322000 
1 1 1 26 16 3  o 7.1800  0.3303 0.1560000      0.6606000 
1 1 1 26 16 4  o 4.5380  0.5633 1.541000       1.127000  
1 1 1 26 16 5  o 4.4210  0.5645 0.5842000      1.129000  
1 1 1 26 16 6  o 3.8740  0.6424 -0.6489000     1.285000  
1 1 1 26 16 7  o 3.7910  0.6914 1.191000       1.383000  
1 1 1 26 16 8  o 8.1320  0.3840 ?              ?         
1 1 1 26 16 9  o 7.8300  0.3375 -0.9366000     0.6751000 
1 1 1 26 16 10 o 6.8180  0.3507 1.406000       0.7013000 
1 1 1 26 16 11 o 5.3890  0.4178 -0.8795000     0.8356000 
1 1 1 26 16 12 o 4.3570  0.5197 -0.1636000     1.039000  
1 1 1 26 16 13 o 5.5520  0.3987 -0.9246000     0.7973000 
1 1 1 26 16 14 o 1.9520  0.6050 -0.3419000     1.210000  
1 1 1 26 16 15 o 5.0110  0.4836 -1.025000      0.9672000 
1 1 1 26 16 16 o 5.2870  0.4716 -0.3584000     0.9431000 
1 1 1 26 16 17 f 8.5060  0.3018 -0.3322000     0.6036000 
1 1 1 26 16 18 o 4.3270  0.5230 -0.8690000     1.046000  
1 1 1 26 16 19 o 5.9760  0.4996 1.545000       0.9992000 
1 1 1 26 16 20 o 2.6410  0.6925 0.5623000      1.385000  
1 1 1 26 16 21 o 6.4430  0.4165 0.1217000      0.8329000 
1 1 1 26 16 22 o 3.0320  0.6600 0.7067000      1.320000  
1 1 1 26 16 23 o 2.6010  0.6063 1.014000       1.213000  
1 1 1 26 16 24 o 5.2660  0.4185 0.6257000E-01  0.8369000 
1 1 1 26 16 25 o 2.5210  0.6190 -0.7592000     1.238000  
1 1 1 26 16 26 o 7.1830  0.3035 0.2788000      0.6071000 
1 1 1 26 16 27 o 9.0870  0.2655 1.424000       0.5309000 
1 1 1 26 16 28 o 5.7730  0.4149 0.9545000E-01  0.8298000 
1 1 1 26 16 29 o 3.3670  0.6171 -1.111000      1.234000  
1 1 1 26 16 30 o 1.9330  0.5858 0.1639000      1.172000  
1 1 1 26 16 31 o 3.2260  0.6771 -2.170000      1.354000  
1 1 1 26 16 32 o 3.6980  0.8068 -1.442000      1.614000  
1 1 1 26 16 33 o 2.0820  0.5962 0.1865000E-01  1.192000  
1 1 1 26 16 34 o 2.8170  0.6549 -0.7844000     1.310000  
1 1 1 26 16 35 o 2.4540  0.6269 0.6027000      1.254000  
1 1 1 26 16 36 f 5.1460  0.3894 -0.3263000     0.7787000 
1 1 1 26 16 37 o 5.3040  0.4106 0.9822000      0.8212000 
1 1 1 26 16 38 o 4.8310  0.4197 -0.2363000E-01 0.8395000 
1 1 1 26 16 39 o 2.5140  0.6005 -1.247000      1.201000  
1 1 1 26 16 40 o 2.8980  0.5424 0.9342000      1.085000  
1 1 1 26 16 41 f 2.1890  0.6179 0.4586000      1.236000  
1 1 1 26 16 42 o 2.0150  0.6392 -0.1301000     1.278000  
1 1 1 26 16 43 o 4.0780  0.7035 0.8887000      1.407000  
1 1 1 26 16 44 o 2.0490  0.6496 -0.1206000     1.299000  
1 1 1 26 16 45 o 6.6900  0.3427 -0.8345000E-01 0.6853000 
1 1 1 26 17 0  o 2.6140  1.1680 0.000000       0.000000  
1 1 1 26 17 1  o 5.8100  0.4111 -0.4677000     0.8222000 
1 1 1 26 17 2  o 5.8830  0.4074 -0.4191000     0.8149000 
1 1 1 26 17 3  o 6.7630  0.3693 0.3072000      0.7387000 
1 1 1 26 17 4  o 3.1750  0.6826 0.5053000      1.365000  
1 1 1 26 17 5  o 6.4810  0.3868 -0.4647000     0.7736000 
1 1 1 26 17 6  o 3.6180  0.6658 1.567000       1.332000  
1 1 1 26 17 7  o 8.0080  0.3350 -0.2339000     0.6699000 
1 1 1 26 17 8  o 7.2880  0.3259 -0.5929000E-02 0.6517000 
1 1 1 26 17 9  o 4.2200  0.5393 -1.126000      1.079000  
1 1 1 26 17 10 o 4.0160  0.5585 -0.2552000     1.117000  
1 1 1 26 17 11 o 10.060  0.2437 0.8525000E-01  0.4873000 
1 1 1 26 17 12 f 8.6010  0.2761 0.8037000      0.5522000 
1 1 1 26 17 13 o 4.0820  0.5528 1.419000       1.106000  
1 1 1 26 17 14 o 4.9820  0.4440 -0.2083000     0.8879000 
1 1 1 26 17 15 o 3.4050  0.6248 -1.568000      1.250000  
1 1 1 26 17 16 o 4.3960  0.6280 -1.691000      1.256000  
1 1 1 26 17 17 o 2.8480  0.6283 -1.644000      1.257000  
1 1 1 26 17 18 o 2.1900  0.6479 -0.6237000     1.296000  
1 1 1 26 17 19 o 2.8190  0.6703 0.4342000      1.341000  
1 1 1 26 17 20 o 3.2790  0.6910 -1.084000      1.382000  
1 1 1 26 17 21 o 3.0710  0.6962 -0.2807000     1.392000  
1 1 1 26 17 22 o 4.0330  0.5549 0.7507000      1.110000  
1 1 1 26 17 23 o 5.4100  0.4121 0.2277000      0.8241000 
1 1 1 26 17 24 o 5.3350  0.4021 0.6009000      0.8043000 
1 1 1 26 17 25 o 4.8180  0.4456 0.8591000      0.8913000 
1 1 1 26 17 26 o 1.9650  0.5888 0.1819000      1.178000  
1 1 1 26 17 27 o 2.7500  0.6031 1.308000       1.206000  
1 1 1 26 17 28 o 1.9120  0.5850 -1.313000      1.170000  
1 1 1 26 17 29 o 4.6790  0.5008 1.149000       1.002000  
1 1 1 26 17 30 o 2.1210  0.5693 0.6573000      1.139000  
1 1 1 26 17 31 o 2.1140  0.5919 -0.6949000     1.184000  
1 1 1 26 17 32 o 4.3540  0.5423 0.2809000      1.085000  
1 1 1 26 17 33 o 4.9920  0.6143 1.990000       1.229000  
1 1 1 26 17 34 o 2.5550  0.7168 -0.9903000     1.434000  
1 1 1 26 17 35 o 1.5860  0.5263 -0.5065000     1.053000  
1 1 1 26 17 36 o 1.7930  0.5504 -0.3503000     1.101000  
1 1 1 26 17 37 o 2.7780  0.6042 -0.7132000     1.208000  
1 1 1 26 17 38 o 6.8920  0.3044 0.5567000      0.6087000 
1 1 1 26 17 39 o 1.5100  0.5016 -0.6916000     1.003000  
1 1 1 26 17 40 o 5.7090  0.5341 0.6118000      1.068000  
1 1 1 26 17 41 o 3.2390  0.7282 -0.7671000     1.456000  
1 1 1 26 17 42 o 3.2180  0.6597 -1.983000      1.319000  
1 1 1 26 17 43 o 4.7010  0.5267 1.860000       1.053000  
1 1 1 26 18 0  o 6.7540  0.5143 0.000000       0.000000  
1 1 1 26 18 1  o 5.5790  0.4284 -0.1789000     0.8568000 
1 1 1 26 18 2  o 8.0370  0.3111 0.1948000      0.6222000 
1 1 1 26 18 3  o 2.7430  0.6910 1.047000       1.382000  
1 1 1 26 18 4  o 6.2550  0.4531 -0.3362000     0.9063000 
1 1 1 26 18 5  o 3.2860  0.7298 -0.6606000E-01 1.460000  
1 1 1 26 18 6  o 6.2450  0.4266 0.7265000      0.8531000 
1 1 1 26 18 7  o 7.4130  0.3395 -1.522000      0.6791000 
1 1 1 26 18 8  o 2.8550  0.6470 0.3667000      1.294000  
1 1 1 26 18 9  o 7.2270  0.3132 -0.6727000E-01 0.6265000 
1 1 1 26 18 10 o 3.9510  0.5527 -0.7855000     1.105000  
1 1 1 26 18 11 o 2.9210  0.6451 -0.1081000     1.290000  
1 1 1 26 18 12 o 3.7690  0.5799 -0.2043000     1.160000  
1 1 1 26 18 13 o 3.6440  0.5842 0.4248000      1.168000  
1 1 1 26 18 14 o 3.4430  0.5911 1.054000       1.182000  
1 1 1 26 18 15 o 2.1490  0.6100 0.2637000      1.220000  
1 1 1 26 18 16 o 2.1330  0.6306 -0.5406000     1.261000  
1 1 1 26 18 17 o 2.5900  0.6802 -0.9246000     1.360000  
1 1 1 26 18 18 o 2.4740  0.6766 0.2664000      1.353000  
1 1 1 26 18 19 o 2.4130  0.6390 0.8170000      1.278000  
1 1 1 26 18 20 o 2.9730  0.6583 1.057000       1.317000  
1 1 1 26 18 21 o 2.5780  0.6987 -0.9650000E-02 1.397000  
1 1 1 26 18 22 o 2.8140  0.5364 2.180000       1.073000  
1 1 1 26 18 23 o 2.3370  0.6225 -0.2893000     1.245000  
1 1 1 26 18 24 o 7.0090  0.3148 1.223000       0.6296000 
1 1 1 26 18 25 o 4.8600  0.4827 1.412000       0.9653000 
1 1 1 26 18 26 o 6.5210  0.3520 -0.6659000     0.7040000 
1 1 1 26 18 27 o 5.8000  0.3948 0.7164000      0.7895000 
1 1 1 26 18 28 o 4.6230  0.4575 -0.9211000     0.9150000 
1 1 1 26 18 29 o 4.8440  0.4521 0.2017000      0.9043000 
1 1 1 26 18 30 o 1.7990  0.5529 0.2842000E-02  1.106000  
1 1 1 26 18 31 o 6.8840  0.2953 0.7621000      0.5905000 
1 1 1 26 18 32 o 4.6060  0.4257 0.5920000      0.8513000 
1 1 1 26 18 33 o 3.7150  0.5121 -1.503000      1.024000  
1 1 1 26 18 34 o 2.7530  0.6877 -0.1095000     1.375000  
1 1 1 26 18 35 o 5.0650  0.7337 -1.482000      1.467000  
1 1 1 26 18 36 o 2.1540  0.5907 0.1744000      1.181000  
1 1 1 26 18 37 o 1.9770  0.5882 -0.2678000     1.176000  
1 1 1 26 18 38 o 2.7260  0.6260 -0.6969000E-01 1.252000  
1 1 1 26 18 39 o 4.5260  0.4626 0.1698000      0.9251000 
1 1 1 26 18 40 o 2.5020  0.7156 -0.8472000E-01 1.431000  
1 1 1 26 18 41 o 2.3230  0.6151 0.6567000      1.230000  
1 1 1 26 18 42 o 3.4690  0.6163 0.5754000      1.233000  
1 1 1 26 19 0  o 1.1360  0.7883 0.000000       0.000000  
1 1 1 26 19 1  o 1.9230  0.5965 -0.2354000     1.193000  
1 1 1 26 19 2  o 5.7920  0.4585 -0.6070000     0.9171000 
1 1 1 26 19 3  o 2.9570  0.6965 1.407000       1.393000  
1 1 1 26 19 4  o 1.8170  0.5799 0.4071000      1.160000  
1 1 1 26 19 5  o 3.0140  0.6967 -0.3976000     1.393000  
1 1 1 26 19 6  o 5.3270  0.4539 -0.2094000     0.9078000 
1 1 1 26 19 7  o 7.7020  0.2981 0.9336000E-01  0.5963000 
1 1 1 26 19 8  o 4.6220  0.4845 0.1255000      0.9689000 
1 1 1 26 19 9  o 3.0100  0.6153 1.078000       1.231000  
1 1 1 26 19 10 o 4.1220  0.5369 -0.9181000     1.074000  
1 1 1 26 19 11 o 2.9000  0.6450 0.1065000      1.290000  
1 1 1 26 19 12 o 5.7940  0.3779 -1.035000      0.7558000 
1 1 1 26 19 13 o 2.4000  0.6255 -0.9021000     1.251000  
1 1 1 26 19 14 o 4.4190  0.5037 -0.5260000     1.007000  
1 1 1 26 19 15 o 7.9330  0.4367 -0.5698000     0.8733000 
1 1 1 26 19 16 o 7.3090  0.3214 -0.4723000     0.6428000 
1 1 1 26 19 17 o 2.9070  0.7592 -1.260000      1.518000  
1 1 1 26 19 18 o 7.0770  0.4815 0.1758000      0.9631000 
1 1 1 26 19 19 o 2.2840  0.6326 0.1251000      1.265000  
1 1 1 26 19 20 o 5.3290  0.5241 -0.8271000E-02 1.048000  
1 1 1 26 19 21 o 3.3410  0.7041 -0.2174000     1.408000  
1 1 1 26 19 22 o 2.4430  0.6616 -0.5407000     1.323000  
1 1 1 26 19 23 o 3.0380  0.5995 -1.047000      1.199000  
1 1 1 26 19 24 o 2.1890  0.6127 0.3082000      1.225000  
1 1 1 26 19 25 o 5.0840  0.5465 1.247000       1.093000  
1 1 1 26 19 26 o 2.7690  0.6301 0.4096000      1.260000  
1 1 1 26 19 27 o 3.4690  0.5422 2.183000       1.084000  
1 1 1 26 19 28 f 10.050  0.2392 0.3925000      0.4784000 
1 1 1 26 19 29 o 2.7210  0.5923 0.7693000      1.185000  
1 1 1 26 19 30 o 1.5050  0.4969 -0.2743000     0.9938000 
1 1 1 26 19 31 o 3.1860  0.5538 -1.387000      1.108000  
1 1 1 26 19 32 o 2.0240  0.5737 -0.4723000     1.147000  
1 1 1 26 19 33 o 3.0650  0.5557 0.7663000      1.111000  
1 1 1 26 19 34 o 6.9230  0.3364 -0.4902000     0.6728000 
1 1 1 26 19 35 o 3.6770  0.6904 0.2808000      1.381000  
1 1 1 26 19 36 o 2.0110  0.6799 -1.192000      1.360000  
1 1 1 26 19 37 o 3.3650  0.6678 0.1393000      1.336000  
1 1 1 26 19 38 o 2.4520  0.6369 -1.749000      1.274000  
1 1 1 26 19 39 o 3.6320  0.6174 -1.173000      1.235000  
1 1 1 26 19 40 o 1.8800  0.6254 0.7472000      1.251000  
1 1 1 26 20 0  o 5.1220  0.6615 0.000000       0.000000  
1 1 1 26 20 1  o 3.0340  0.6473 2.039000       1.295000  
1 1 1 26 20 2  o 2.0160  0.6228 -0.9813000     1.246000  
1 1 1 26 20 3  o 2.4890  0.6818 0.4317000E-02  1.364000  
1 1 1 26 20 4  o 2.8990  0.6653 -1.466000      1.331000  
1 1 1 26 20 5  o 2.7740  0.6894 -0.5989000     1.379000  
1 1 1 26 20 6  o 1.8930  0.5848 0.4425000      1.170000  
1 1 1 26 20 7  o 2.2950  0.6362 0.3325000      1.272000  
1 1 1 26 20 8  o 3.9250  0.5784 0.1545000      1.157000  
1 1 1 26 20 9  o 4.7940  0.4762 -0.3416000     0.9524000 
1 1 1 26 20 10 o 4.5490  0.5079 -0.9288000     1.016000  
1 1 1 26 20 11 o 6.9530  0.3354 1.101000       0.6709000 
1 1 1 26 20 12 o 2.5170  0.6297 0.8516000      1.259000  
1 1 1 26 20 13 o 4.1890  0.5434 -1.277000      1.087000  
1 1 1 26 20 14 f 6.6980  0.5101 -1.029000      1.020000  
1 1 1 26 20 15 o 3.4230  0.7009 -0.4721000     1.402000  
1 1 1 26 20 16 o 7.0020  0.3279 -0.6150000     0.6558000 
1 1 1 26 20 17 o 9.4590  0.2606 0.3598000      0.5211000 
1 1 1 26 20 18 o 4.7550  0.6281 -0.7490000     1.256000  
1 1 1 26 20 19 o 6.8790  0.3636 -0.9689000E-01 0.7272000 
1 1 1 26 20 20 o 3.0270  0.5808 -2.272000      1.162000  
1 1 1 26 20 21 o 4.9310  0.5118 0.7386000      1.024000  
1 1 1 26 20 22 o 1.8340  0.5850 -0.9251000     1.170000  
1 1 1 26 20 23 o 4.5130  0.4761 -0.4958000     0.9522000 
1 1 1 26 20 24 o 3.4900  0.6135 0.7057000      1.227000  
1 1 1 26 20 25 o 2.5390  0.6273 -1.341000      1.255000  
1 1 1 26 20 26 o 2.8100  0.6338 -0.5323000E-01 1.268000  
1 1 1 26 20 27 o 5.4530  0.3958 1.084000       0.7916000 
1 1 1 26 20 28 o 3.8830  0.5127 -2.031000      1.025000  
1 1 1 26 20 29 o 1.8400  0.5623 -0.3570000     1.125000  
1 1 1 26 20 30 o 9.3530  0.2315 0.6188000      0.4630000 
1 1 1 26 20 31 o 3.4470  0.5433 0.8729000      1.087000  
1 1 1 26 20 32 o 2.4440  0.5751 0.6170000      1.150000  
1 1 1 26 20 33 o 3.0850  0.5867 0.3876000E-01  1.173000  
1 1 1 26 20 34 o 2.8480  0.5407 1.433000       1.081000  
1 1 1 26 20 35 o 3.1220  0.6332 0.4933000E-01  1.266000  
1 1 1 26 20 36 o 2.0750  0.6581 -0.2915000     1.316000  
1 1 1 26 20 37 o 2.4300  0.6499 0.9094000E-01  1.300000  
1 1 1 26 20 38 o 1.9840  0.8005 ?              ?         
1 1 1 26 21 0  o 4.9290  0.9004 0.000000       0.000000  
1 1 1 26 21 1  o 2.3700  0.6799 0.8721000      1.360000  
1 1 1 26 21 2  o 3.3640  0.7003 -0.2420000     1.401000  
1 1 1 26 21 3  o 3.3440  0.6536 -1.568000      1.307000  
1 1 1 26 21 4  o 4.7590  0.5574 1.408000       1.115000  
1 1 1 26 21 5  o 4.3690  0.5321 0.6688000      1.064000  
1 1 1 26 21 6  o 1.7820  0.5614 0.6015000      1.123000  
1 1 1 26 21 7  o 5.7300  0.4043 0.3311000      0.8086000 
1 1 1 26 21 8  o 2.4910  0.6108 1.307000       1.222000  
1 1 1 26 21 9  o 1.7060  0.5504 -0.1567000     1.101000  
1 1 1 26 21 10 o 1.8780  0.5779 0.1618000      1.156000  
1 1 1 26 21 11 o 2.5580  0.6432 -0.8956000E-01 1.286000  
1 1 1 26 21 12 o 4.5630  0.6074 1.163000       1.215000  
1 1 1 26 21 13 o 2.2280  0.6234 -0.5926000     1.247000  
1 1 1 26 21 14 o 2.7250  0.6959 -1.012000      1.392000  
1 1 1 26 21 15 o 3.4700  0.5998 -0.3534000     1.200000  
1 1 1 26 21 16 o 2.2450  0.5863 -1.551000      1.173000  
1 1 1 26 21 17 o 4.1440  0.5259 -0.9392000     1.052000  
1 1 1 26 21 18 o 4.4080  0.5555 -0.2864000     1.111000  
1 1 1 26 21 19 o 3.6930  0.7077 1.931000       1.415000  
1 1 1 26 21 20 o 3.5070  0.5947 1.913000       1.189000  
1 1 1 26 21 21 f 4.8860  0.5489 ?              ?         
1 1 1 26 21 22 o 2.8600  0.7564 0.3490000E-01  1.513000  
1 1 1 26 21 23 o 2.1220  0.6396 -0.6053000     1.279000  
1 1 1 26 21 24 o 1.7620  0.5579 0.2209000      1.116000  
1 1 1 26 21 25 o 3.8260  0.5950 -0.5181000     1.190000  
1 1 1 26 21 26 o 2.4840  0.6100 0.9029000      1.220000  
1 1 1 26 21 27 o 2.5940  0.6113 0.6354000      1.223000  
1 1 1 26 21 28 o 4.0770  0.5208 -0.2060000     1.042000  
1 1 1 26 21 29 o 2.1380  0.6069 -0.5529000     1.214000  
1 1 1 26 21 30 o 4.1500  0.5088 0.2919000      1.018000  
1 1 1 26 21 31 o 6.3440  0.3185 0.7839000      0.6369000 
1 1 1 26 21 32 o 3.1730  0.5738 -0.6623000     1.148000  
1 1 1 26 21 33 o 3.2690  0.5496 -1.196000      1.099000  
1 1 1 26 21 34 o 7.0110  0.2745 -0.1675000     0.5491000 
1 1 1 26 21 35 o 3.3080  0.5561 -1.047000      1.112000  
1 1 1 26 21 36 o 6.7960  0.3327 1.635000       0.6655000 
1 1 1 26 22 0  o 10.580  0.6793 0.000000       0.000000  
1 1 1 26 22 1  o 6.0480  0.6972 1.330000       1.394000  
1 1 1 26 22 2  o 2.6980  0.6688 0.8456000      1.338000  
1 1 1 26 22 3  o 6.0760  0.4177 -1.607000      0.8355000 
1 1 1 26 22 4  o 4.3830  0.5340 -0.5472000     1.068000  
1 1 1 26 22 5  o 5.6630  0.4087 -0.1561000     0.8174000 
1 1 1 26 22 6  o 3.7310  0.6078 0.2360000      1.216000  
1 1 1 26 22 7  o 3.1750  0.6538 0.1533000      1.308000  
1 1 1 26 22 8  o 2.6560  0.6270 1.253000       1.254000  
1 1 1 26 22 9  o 2.6510  0.6013 1.600000       1.203000  
1 1 1 26 22 10 o 3.3420  0.6220 1.569000       1.244000  
1 1 1 26 22 11 o 2.3800  0.6045 -1.526000      1.209000  
1 1 1 26 22 12 o 2.9630  0.6949 0.2822000E-01  1.390000  
1 1 1 26 22 13 o 3.2330  0.6260 0.2842000      1.252000  
1 1 1 26 22 14 o 5.4960  0.3980 0.6959000E-01  0.7960000 
1 1 1 26 22 15 o 3.9400  0.5462 -0.4905000E-01 1.092000  
1 1 1 26 22 16 o 1.8420  0.5647 0.3442000      1.129000  
1 1 1 26 22 17 o 2.2130  0.5811 -1.470000      1.162000  
1 1 1 26 22 18 o 3.5950  0.5846 -0.7936000     1.169000  
1 1 1 26 22 19 o 1.9150  0.5917 0.3827000E-01  1.183000  
1 1 1 26 22 20 o 3.6280  0.8140 -0.1411000     1.628000  
1 1 1 26 22 21 o 2.2960  0.6659 0.9712000      1.332000  
1 1 1 26 22 22 o 4.5420  0.6446 0.2477000      1.289000  
1 1 1 26 22 23 o 2.5740  0.6907 0.5191000E-01  1.381000  
1 1 1 26 22 24 o 2.5250  0.6128 1.112000       1.226000  
1 1 1 26 22 25 o 2.9790  0.6173 -0.4875000     1.235000  
1 1 1 26 22 26 o 1.7780  0.5546 0.4864000E-01  1.109000  
1 1 1 26 22 27 o 6.5240  0.3221 0.4415000      0.6443000 
1 1 1 26 22 28 o 1.6190  0.5236 -0.6408000E-01 1.047000  
1 1 1 26 22 29 o 2.0640  0.5831 -0.7714000     1.166000  
1 1 1 26 22 30 o 1.9820  0.5325 1.221000       1.065000  
1 1 1 26 22 31 o 2.4420  0.6146 -0.4491000     1.229000  
1 1 1 26 22 32 o 1.8320  0.5558 0.1085000      1.112000  
1 1 1 26 22 33 o 1.4030  0.4731 -0.1057000     0.9463000 
1 1 1 26 22 34 o 1.6470  0.5323 -0.4061000     1.065000  
1 1 1 26 23 0  o 2.0240  1.1780 0.000000       0.000000  
1 1 1 26 23 1  o 2.6190  0.6891 1.478000       1.378000  
1 1 1 26 23 2  o 5.9880  0.5892 0.6078000      1.178000  
1 1 1 26 23 3  o 2.1110  0.5932 -1.245000      1.186000  
1 1 1 26 23 4  o 2.4900  0.6235 -1.254000      1.247000  
1 1 1 26 23 5  o 5.4130  0.4237 0.3898000      0.8473000 
1 1 1 26 23 6  o 6.9310  0.3374 0.4105000      0.6749000 
1 1 1 26 23 7  f 2.2020  0.6315 -0.2512000     1.263000  
1 1 1 26 23 8  o 5.8710  0.4021 0.7877000      0.8042000 
1 1 1 26 23 9  o 4.8950  0.5303 -0.2584000     1.061000  
1 1 1 26 23 10 o 1.9610  0.6364 -0.1700000     1.273000  
1 1 1 26 23 11 o 2.5530  0.6525 0.6525000E-01  1.305000  
1 1 1 26 23 12 o 4.8210  0.4917 1.603000       0.9835000 
1 1 1 26 23 13 o 1.8900  0.5830 0.9955000E-01  1.166000  
1 1 1 26 23 14 o 4.9450  0.4551 0.2266000      0.9103000 
1 1 1 26 23 15 o 6.2040  0.3633 0.6274000      0.7265000 
1 1 1 26 23 16 o 1.4790  0.5002 -0.1225000     1.000000  
1 1 1 26 23 17 o 2.0160  0.5717 0.9151000      1.143000  
1 1 1 26 23 18 o 5.2550  0.3950 -0.1196000     0.7900000 
1 1 1 26 23 19 o 2.6410  0.6173 -1.243000      1.235000  
1 1 1 26 23 20 o 3.9920  0.6340 -1.695000      1.268000  
1 1 1 26 23 21 o 2.3210  0.6932 1.008000       1.386000  
1 1 1 26 23 22 o 2.6580  0.6645 1.552000       1.329000  
1 1 1 26 23 23 o 3.4300  0.7289 -0.6166000     1.458000  
1 1 1 26 23 24 o 2.6430  0.6325 -0.3944000     1.265000  
1 1 1 26 23 25 o 2.0060  0.5905 0.1205000      1.181000  
1 1 1 26 23 26 o 5.0390  0.4232 0.7979000      0.8464000 
1 1 1 26 23 27 o 2.1320  0.5636 1.145000       1.127000  
1 1 1 26 23 28 o 2.7150  0.6535 -0.9094000E-01 1.307000  
1 1 1 26 23 29 o 3.2620  0.6251 -0.8487000     1.250000  
1 1 1 26 23 30 o 1.5600  0.5174 -0.4134000     1.035000  
1 1 1 26 23 31 o 4.3720  0.5138 0.2303000      1.028000  
1 1 1 26 24 0  o 2.4440  1.2360 0.000000       0.000000  
1 1 1 26 24 1  o 2.8100  0.7056 0.3274000      1.411000  
1 1 1 26 24 2  o 2.9080  0.7349 -0.7997000     1.470000  
1 1 1 26 24 3  o 2.7460  1.0530 ?              ?         
1 1 1 26 24 4  o 3.6250  0.6318 -0.1858000     1.264000  
1 1 1 26 24 5  o 3.8520  0.6030 0.9977000      1.206000  
1 1 1 26 24 6  o 2.2600  0.6347 0.6011000      1.269000  
1 1 1 26 24 7  o 2.7790  0.6950 -0.4385000     1.390000  
1 1 1 26 24 8  o 6.9770  0.4045 1.373000       0.8090000 
1 1 1 26 24 9  o 5.6740  0.5179 0.7054000      1.036000  
1 1 1 26 24 10 o 2.7980  0.6783 0.9675000E-01  1.357000  
1 1 1 26 24 11 o 7.0250  0.3507 1.243000       0.7014000 
1 1 1 26 24 12 o 2.3200  0.6363 0.3076000      1.273000  
1 1 1 26 24 13 o 7.1900  0.3251 -0.4546000     0.6502000 
1 1 1 26 24 14 o 2.5740  0.6561 -0.6241000     1.312000  
1 1 1 26 24 15 o 5.9000  0.3911 -0.5714000     0.7821000 
1 1 1 26 24 16 o 2.2860  0.5899 1.264000       1.180000  
1 1 1 26 24 17 o 1.8530  0.5573 -0.9128000     1.115000  
1 1 1 26 24 18 o 4.2630  0.5750 -1.941000      1.150000  
1 1 1 26 24 19 o 2.2090  0.6114 -1.261000      1.223000  
1 1 1 26 24 20 o 1.8120  0.5756 0.1043000      1.151000  
1 1 1 26 24 21 o 3.1310  0.6870 -0.6620000     1.374000  
1 1 1 26 24 22 o 1.8920  0.6240 0.6513000      1.248000  
1 1 1 26 24 23 o 6.3530  0.5441 -1.064000      1.088000  
1 1 1 26 24 24 o 2.2690  0.6665 0.3972000E-01  1.333000  
1 1 1 26 24 25 o 1.4370  0.4914 0.2372000      0.9829000 
1 1 1 26 24 26 o 2.4960  0.6542 -0.1034000     1.308000  
1 1 1 26 24 27 o 2.3540  0.6419 -0.4204000     1.284000  
1 1 1 26 24 28 o 1.7420  0.5618 0.2681000      1.124000  
1 1 1 26 24 29 o 2.2380  0.6640 -0.5524000     1.328000  
1 1 1 26 25 0  o 1.0190  0.7241 0.000000       0.000000  
1 1 1 26 25 1  o 2.7190  0.7001 -0.8878000E-01 1.400000  
1 1 1 26 25 2  o 2.2490  0.6629 0.2183000      1.326000  
1 1 1 26 25 3  o 2.7310  0.7449 0.1864000      1.490000  
1 1 1 26 25 4  o 2.9880  1.0760 ?              ?         
1 1 1 26 25 5  o 4.8240  0.5814 -1.236000      1.163000  
1 1 1 26 25 6  o 3.2430  0.6389 -1.605000      1.278000  
1 1 1 26 25 7  o 4.2730  0.7005 -1.500000      1.401000  
1 1 1 26 25 8  o 2.5290  0.6666 -0.6851000     1.333000  
1 1 1 26 25 9  o 3.1940  0.6731 -0.4036000     1.346000  
1 1 1 26 25 10 o 2.5520  0.6541 0.8462000      1.308000  
1 1 1 26 25 11 o 2.3820  0.6593 -1.182000      1.319000  
1 1 1 26 25 12 o 1.5610  0.5256 0.2771000      1.051000  
1 1 1 26 25 13 o 2.4710  0.6601 -0.4214000     1.320000  
1 1 1 26 25 14 o 2.9250  0.6665 1.105000       1.333000  
1 1 1 26 25 15 o 2.2220  0.6303 -0.8595000     1.261000  
1 1 1 26 25 16 o 1.9130  0.5986 -0.6195000E-01 1.197000  
1 1 1 26 25 17 o 2.3290  0.6575 0.9461000      1.315000  
1 1 1 26 25 18 o 2.9680  0.6954 -0.5853000     1.391000  
1 1 1 26 25 19 f 3.4420  0.6877 -0.7648000     1.375000  
1 1 1 26 25 20 o 3.4040  0.6966 0.8834000E-01  1.393000  
1 1 1 26 25 21 o 4.0530  0.5813 1.145000       1.163000  
1 1 1 26 25 22 o 4.4340  0.5178 -0.9538000     1.036000  
1 1 1 26 25 23 o 3.5580  0.7016 0.1085000      1.403000  
1 1 1 26 25 24 o 2.1270  0.6816 0.1731000E-01  1.363000  
1 1 1 26 25 25 o 4.9250  0.5640 -0.8512000     1.128000  
1 1 1 26 26 0  o 4.4190  1.1460 0.000000       0.000000  
1 1 1 26 26 1  f 2.2780  1.1200 0.000000       0.000000  
1 1 1 26 26 2  f 3.6220  1.0720 0.000000       0.000000  
1 1 1 26 26 3  o 5.5380  0.6445 0.000000       0.000000  
1 1 1 26 26 4  o 1.4610  0.9544 0.000000       0.000000  
1 1 1 26 26 5  o 1.4250  0.9768 0.000000       0.000000  
1 1 1 26 26 6  o 1.5480  1.0360 0.000000       0.000000  
1 1 1 26 26 7  o 3.5720  1.1020 0.000000       0.000000  
1 1 1 26 26 8  o 2.2460  1.1710 0.000000       0.000000  
1 1 1 26 26 9  o 2.3590  1.1800 0.000000       0.000000  
1 1 1 26 26 10 o 3.8450  1.0350 0.000000       0.000000  
1 1 1 26 26 11 o 1.9470  1.1140 0.000000       0.000000  
1 1 1 26 26 12 o 3.7930  1.0680 0.000000       0.000000  
1 1 1 26 26 13 o 4.9970  0.7549 0.000000       0.000000  
1 1 1 26 26 14 o 1.5550  0.9708 0.000000       0.000000  
1 1 1 26 26 15 o 1.9110  1.1100 0.000000       0.000000  
1 1 1 26 26 16 o 1.2140  0.8395 0.000000       0.000000  
1 1 1 26 26 17 o 3.2560  1.0780 0.000000       0.000000  
1 1 1 26 26 18 f 2.1880  1.2050 0.000000       0.000000  
1 1 1 26 26 19 o 6.4200  0.5582 0.000000       0.000000  
1 1 1 26 26 20 o 1.4100  0.9147 0.000000       0.000000  
1 1 1 26 26 21 o 2.6730  1.1340 0.000000       0.000000  
1 1 1 27 0  1  o 7.2130  0.7420 0.000000       0.000000  
1 1 1 27 0  2  f 5.8690  0.7908 0.000000       0.000000  
1 1 1 27 0  3  o 3.6000  1.1660 0.000000       0.000000  
1 1 1 27 0  4  o 20.160  0.3014 0.000000       0.000000  
1 1 1 27 0  5  o 5.0690  0.9027 0.000000       0.000000  
1 1 1 27 0  6  o 1.6410  1.0970 0.000000       0.000000  
1 1 1 27 0  7  o 10.130  0.5434 0.000000       0.000000  
1 1 1 27 0  8  o 3.6550  1.4260 0.000000       0.000000  
1 1 1 27 0  9  o 4.9290  0.9292 0.000000       0.000000  
1 1 1 27 0  10 o 2.0410  1.1890 0.000000       0.000000  
1 1 1 27 0  11 o 1.0850  0.7782 0.000000       0.000000  
1 1 1 27 0  12 o 9.7360  0.4510 0.000000       0.000000  
1 1 1 27 0  13 o 8.6160  0.5031 0.000000       0.000000  
1 1 1 27 0  14 o 7.1430  0.5832 0.000000       0.000000  
1 1 1 27 0  15 o 4.1210  1.1140 0.000000       0.000000  
1 1 1 27 0  16 o 1.7450  1.0900 0.000000       0.000000  
1 1 1 27 0  17 o 1.6650  1.0590 0.000000       0.000000  
1 1 1 27 0  18 o 4.9790  0.8533 0.000000       0.000000  
1 1 1 27 0  19 o 1.4490  0.9646 0.000000       0.000000  
1 1 1 27 0  20 o 10.180  0.4164 0.000000       0.000000  
1 1 1 27 0  21 o 9.8040  0.4246 0.000000       0.000000  
1 1 1 27 0  22 o 9.2450  0.4432 0.000000       0.000000  
1 1 1 27 0  23 o 2.9040  1.2430 0.000000       0.000000  
1 1 1 27 0  24 o 2.2760  1.2080 0.000000       0.000000  
1 1 1 27 0  25 o 2.5960  1.2300 0.000000       0.000000  
1 1 1 27 0  26 o 1.2240  0.8490 0.000000       0.000000  
1 1 1 27 0  27 o 1.5290  0.9915 0.000000       0.000000  
1 1 1 27 0  28 o 1.7930  1.0910 0.000000       0.000000  
1 1 1 27 0  29 o 13.680  0.3339 0.000000       0.000000  
1 1 1 27 0  30 o 7.4680  0.5199 0.000000       0.000000  
1 1 1 27 0  31 o 3.3060  1.1730 0.000000       0.000000  
1 1 1 27 0  32 o 2.0650  1.2170 0.000000       0.000000  
1 1 1 27 0  33 o 2.7870  1.5240 0.000000       0.000000  
1 1 1 27 0  34 o 2.2090  1.3750 0.000000       0.000000  
1 1 1 27 0  35 o 2.9110  1.3430 0.000000       0.000000  
1 1 1 27 0  36 o 1.9940  1.2650 0.000000       0.000000  
1 1 1 27 0  37 o 2.0580  1.2890 0.000000       0.000000  
1 1 1 27 0  38 o 1.0470  0.7581 0.000000       0.000000  
1 1 1 27 0  39 o 7.0000  0.5558 0.000000       0.000000  
1 1 1 27 0  40 o 5.7910  0.6712 0.000000       0.000000  
1 1 1 27 0  41 o 2.4170  1.2060 0.000000       0.000000  
1 1 1 27 0  42 o 1.4130  0.9354 0.000000       0.000000  
1 1 1 27 0  43 o 0.7981  0.5882 0.000000       0.000000  
1 1 1 27 0  44 f 1.4610  0.9560 0.000000       0.000000  
1 1 1 27 0  45 o 2.5380  1.2100 0.000000       0.000000  
1 1 1 27 0  46 o 4.9140  0.8064 0.000000       0.000000  
1 1 1 27 0  47 f 6.6410  0.5651 0.000000       0.000000  
1 1 1 27 0  48 o 1.2680  0.8655 0.000000       0.000000  
1 1 1 27 0  49 o 2.9010  1.2210 0.000000       0.000000  
1 1 1 27 0  50 o 2.4050  1.2040 0.000000       0.000000  
1 1 1 27 0  51 o 0.8206  0.6045 0.000000       0.000000  
1 1 1 27 0  52 o 7.0890  0.7137 0.000000       0.000000  
1 1 1 27 1  0  o 10.860  0.5233 0.000000       0.000000  
1 1 1 27 1  1  o 10.100  0.3561 0.6427000      0.7123000 
1 1 1 27 1  2  o 12.910  0.2871 -0.3071000E-01 0.5742000 
1 1 1 27 1  3  o 3.3350  0.8543 2.006000       1.709000  
1 1 1 27 1  4  o 2.6180  0.7465 0.3815000E-02  1.493000  
1 1 1 27 1  5  o 3.4620  0.7895 -0.9471000     1.579000  
1 1 1 27 1  6  o 3.0800  0.7203 2.266000       1.441000  
1 1 1 27 1  7  o 9.2150  0.3492 -1.358000      0.6985000 
1 1 1 27 1  8  o 9.2610  0.3708 0.8472000      0.7416000 
1 1 1 27 1  9  o 8.4660  0.4026 0.7218000      0.8053000 
1 1 1 27 1  10 o 2.3120  0.6671 1.320000       1.334000  
1 1 1 27 1  11 o 4.5760  0.6452 -1.491000      1.290000  
1 1 1 27 1  12 o 6.4410  0.4623 0.9502000      0.9246000 
1 1 1 27 1  13 o 4.5820  0.6457 0.9401000      1.291000  
1 1 1 27 1  14 o 7.5410  0.3967 0.7887000      0.7934000 
1 1 1 27 1  15 o 5.5350  0.5220 -0.4321000     1.044000  
1 1 1 27 1  16 o 2.4860  0.7031 0.5900000      1.406000  
1 1 1 27 1  17 o 4.9420  0.5856 0.8367000      1.171000  
1 1 1 27 1  18 o 3.2300  0.6979 -1.644000      1.396000  
1 1 1 27 1  19 o 7.8660  0.3682 -0.2600000     0.7364000 
1 1 1 27 1  20 o 6.5730  0.4294 0.3205000      0.8587000 
1 1 1 27 1  21 o 10.560  0.2864 -0.9283000E-01 0.5728000 
1 1 1 27 1  22 o 14.170  0.2336 -0.1036000E-01 0.4673000 
1 1 1 27 1  23 o 3.7880  0.7339 1.713000       1.468000  
1 1 1 27 1  24 o 11.480  0.2660 -0.4933000E-01 0.5321000 
1 1 1 27 1  25 o 5.1800  0.5369 0.9694000      1.074000  
1 1 1 27 1  26 o 5.1840  0.5470 1.744000       1.094000  
1 1 1 27 1  27 o 8.9060  0.3204 0.6554000      0.6407000 
1 1 1 27 1  28 o 2.5450  0.6974 0.2909000      1.395000  
1 1 1 27 1  29 o 11.640  0.2917 0.3990000E-01  0.5834000 
1 1 1 27 1  30 f 9.8430  0.3292 0.1810000      0.6584000 
1 1 1 27 1  31 o 2.1400  0.6672 -0.6158000     1.334000  
1 1 1 27 1  32 o 2.1100  0.6645 -0.4228000     1.329000  
1 1 1 27 1  33 o 2.9310  0.8203 -1.384000      1.641000  
1 1 1 27 1  34 o 7.9680  0.6147 0.3346000      1.229000  
1 1 1 27 1  35 o 3.8100  0.7027 2.473000       1.405000  
1 1 1 27 1  36 o 2.5830  0.7932 0.9137000      1.586000  
1 1 1 27 1  37 o 2.9470  0.8570 -0.1531000     1.714000  
1 1 1 27 1  38 o 5.8360  0.6383 3.353000       1.277000  
1 1 1 27 1  39 o 6.6170  0.4529 -0.7326000     0.9059000 
1 1 1 27 1  40 o 5.9830  0.5203 1.195000       1.041000  
1 1 1 27 1  41 o 3.2560  0.7477 0.3624000E-01  1.495000  
1 1 1 27 1  42 o 2.1770  0.6708 -0.2819000     1.342000  
1 1 1 27 1  43 o 2.2170  0.6515 0.8269000      1.303000  
1 1 1 27 1  44 o 8.0990  0.3785 0.4044000      0.7571000 
1 1 1 27 1  45 o 2.2280  0.6713 0.2283000      1.343000  
1 1 1 27 1  46 o 1.7110  0.5757 -0.1158000E-01 1.151000  
1 1 1 27 1  47 o 2.6200  0.7112 -1.345000      1.422000  
1 1 1 27 1  48 o 2.2460  0.6842 -0.6759000     1.368000  
1 1 1 27 1  49 o 4.4830  0.6631 -0.2951000     1.326000  
1 1 1 27 1  50 o 1.9000  0.6056 0.2808000      1.211000  
1 1 1 27 1  51 o 3.0150  0.6941 -0.9902000     1.388000  
1 1 1 27 1  52 o 2.1160  0.6391 -0.6638000     1.278000  
1 1 1 27 2  0  o 5.3490  0.7430 0.000000       0.000000  
1 1 1 27 2  1  o 8.2520  0.5020 0.2185000      1.004000  
1 1 1 27 2  2  o 15.230  0.3172 -0.1495000     0.6343000 
1 1 1 27 2  3  o 16.010  0.3136 0.1268000      0.6272000 
1 1 1 27 2  4  o 7.7110  0.5892 -2.306000      1.178000  
1 1 1 27 2  5  o 3.0530  0.7721 0.1799000      1.544000  
1 1 1 27 2  6  o 13.860  0.2786 0.4610000      0.5573000 
1 1 1 27 2  7  o 5.3110  0.5809 -0.9396000     1.162000  
1 1 1 27 2  8  o 14.520  0.2435 -0.2505000     0.4870000 
1 1 1 27 2  9  o 9.3720  0.3632 0.1769000      0.7265000 
1 1 1 27 2  10 o 6.0270  0.4592 0.2333000      0.9184000 
1 1 1 27 2  11 o 5.0920  0.6484 -1.509000      1.297000  
1 1 1 27 2  12 o 9.5100  0.3261 -0.1162000E-01 0.6522000 
1 1 1 27 2  13 o 9.9300  0.3122 0.1558000E-01  0.6244000 
1 1 1 27 2  14 o 3.2770  0.7414 0.6134000      1.483000  
1 1 1 27 2  15 o 7.9010  0.3765 -1.416000      0.7531000 
1 1 1 27 2  16 o 7.7310  0.3850 1.433000       0.7700000 
1 1 1 27 2  17 o 15.170  0.2313 0.4308000      0.4625000 
1 1 1 27 2  18 o 9.5560  0.3550 0.7337000      0.7099000 
1 1 1 27 2  19 o 15.380  0.2291 0.7753000E-01  0.4582000 
1 1 1 27 2  20 o 13.730  0.2713 0.3186000      0.5426000 
1 1 1 27 2  21 o 3.2620  0.6799 -1.913000      1.360000  
1 1 1 27 2  22 o 10.010  0.2974 0.9081000      0.5947000 
1 1 1 27 2  23 o 8.2830  0.3405 -0.8491000     0.6811000 
1 1 1 27 2  24 o 6.2430  0.4418 -0.2585000     0.8835000 
1 1 1 27 2  25 o 3.2060  0.6898 -1.364000      1.380000  
1 1 1 27 2  26 o 3.9860  0.6529 -0.8124000     1.306000  
1 1 1 27 2  27 o 2.8210  0.7354 0.4645000      1.471000  
1 1 1 27 2  28 o 7.3390  0.4188 -0.2178000     0.8375000 
1 1 1 27 2  29 o 5.0810  0.6142 1.822000       1.228000  
1 1 1 27 2  30 o 5.8960  0.5089 -1.327000      1.018000  
1 1 1 27 2  31 o 10.240  0.3242 0.8434000      0.6484000 
1 1 1 27 2  32 o 10.750  0.3335 1.876000       0.6671000 
1 1 1 27 2  33 o 3.6090  0.8750 -0.8793000     1.750000  
1 1 1 27 2  34 o 3.3080  0.8656 -0.1693000     1.731000  
1 1 1 27 2  35 o 2.3060  0.6957 -0.4935000     1.391000  
1 1 1 27 2  36 o 2.2810  0.7000 -0.7438000E-01 1.400000  
1 1 1 27 2  37 o 4.3970  0.7961 0.2977000      1.592000  
1 1 1 27 2  38 o 4.0120  0.6896 -0.9874000     1.379000  
1 1 1 27 2  39 f 5.1770  0.5864 1.499000       1.173000  
1 1 1 27 2  40 o 3.8690  0.6506 -0.7436000     1.301000  
1 1 1 27 2  41 o 4.7360  0.5566 0.5063000      1.113000  
1 1 1 27 2  42 o 6.4940  0.4005 0.5699000      0.8010000 
1 1 1 27 2  43 o 3.8040  0.6361 -1.317000      1.272000  
1 1 1 27 2  44 o 2.3410  0.6595 0.5087000      1.319000  
1 1 1 27 2  45 o 3.1420  0.6955 -0.2782000     1.391000  
1 1 1 27 2  46 o 1.8600  0.5975 -0.4021000E-01 1.195000  
1 1 1 27 2  47 o 7.2040  0.3688 -0.1690000     0.7377000 
1 1 1 27 2  48 o 2.4150  0.6682 -0.6696000     1.336000  
1 1 1 27 2  49 o 2.5130  0.6862 -0.7909000E-01 1.372000  
1 1 1 27 2  50 o 6.8190  0.3950 0.8450000      0.7899000 
1 1 1 27 2  51 o 2.7820  0.6910 -1.054000      1.382000  
1 1 1 27 2  52 o 2.6810  0.7013 -0.4731000     1.403000  
1 1 1 27 3  1  o 5.5320  0.6500 1.238000       1.300000  
1 1 1 27 3  2  o 7.4050  0.5518 0.2935000      1.104000  
1 1 1 27 3  3  o 7.0410  0.5811 -0.4371000     1.162000  
1 1 1 27 3  4  o 11.540  0.3558 ?              ?         
1 1 1 27 3  5  o 5.6110  0.5610 0.8256000      1.122000  
1 1 1 27 3  6  o 4.3430  0.6358 1.688000       1.272000  
1 1 1 27 3  7  o 4.8770  0.6157 -0.2407000     1.231000  
1 1 1 27 3  8  o 6.0930  0.5082 1.279000       1.016000  
1 1 1 27 3  9  o 17.620  0.2208 0.1490000      0.4416000 
1 1 1 27 3  10 o 3.8960  0.6943 -0.6952000     1.389000  
1 1 1 27 3  11 o 4.6600  0.6658 0.7018000      1.332000  
1 1 1 27 3  12 o 5.6270  0.5376 -0.8698000     1.075000  
1 1 1 27 3  13 o 7.2670  0.4217 -1.777000      0.8435000 
1 1 1 27 3  14 o 9.4760  0.3241 1.318000       0.6482000 
1 1 1 27 3  15 o 6.9660  0.4209 -0.1858000     0.8419000 
1 1 1 27 3  16 o 4.4020  0.6514 0.6996000      1.303000  
1 1 1 27 3  17 o 8.6800  0.3416 -0.1329000     0.6831000 
1 1 1 27 3  18 o 2.3480  0.6828 0.7306000      1.366000  
1 1 1 27 3  19 o 12.450  0.2576 0.3838000      0.5152000 
1 1 1 27 3  20 o 3.0630  0.7046 -1.359000      1.409000  
1 1 1 27 3  21 o 3.8670  0.6766 1.009000       1.353000  
1 1 1 27 3  22 f 6.0890  0.4710 1.534000       0.9421000 
1 1 1 27 3  23 o 4.4310  0.6159 -0.5185000     1.232000  
1 1 1 27 3  24 o 7.0640  0.3898 -0.2238000     0.7795000 
1 1 1 27 3  25 f 6.2430  0.4897 0.5620000      0.9794000 
1 1 1 27 3  26 o 3.0720  0.7502 -0.4655000E-01 1.500000  
1 1 1 27 3  27 o 2.5560  0.6668 1.369000       1.334000  
1 1 1 27 3  28 o 6.3120  0.4684 -1.053000      0.9368000 
1 1 1 27 3  29 o 2.4370  0.6731 1.006000       1.346000  
1 1 1 27 3  30 o 6.6980  0.4579 0.3863000      0.9158000 
1 1 1 27 3  31 o 2.0370  0.6443 0.1809000      1.289000  
1 1 1 27 3  32 o 3.4390  0.8474 0.6269000      1.695000  
1 1 1 27 3  33 o 11.030  0.4183 0.6467000      0.8366000 
1 1 1 27 3  34 o 4.1150  1.3500 ?              ?         
1 1 1 27 3  35 o 6.5690  0.4997 1.618000       0.9995000 
1 1 1 27 3  36 o 3.9960  0.7489 0.5447000      1.498000  
1 1 1 27 3  37 o 6.9070  0.4718 -0.6072000     0.9436000 
1 1 1 27 3  38 o 3.1090  0.7430 0.9306000      1.486000  
1 1 1 27 3  39 o 9.1620  0.3089 0.9529000      0.6178000 
1 1 1 27 3  40 o 2.5980  0.7171 0.4342000E-01  1.434000  
1 1 1 27 3  41 o 6.3650  0.4630 1.055000       0.9261000 
1 1 1 27 3  42 o 3.6470  0.6288 2.047000       1.258000  
1 1 1 27 3  43 o 5.1330  0.5148 1.367000       1.030000  
1 1 1 27 3  44 o 4.7320  0.5494 -1.013000      1.099000  
1 1 1 27 3  45 o 4.7730  0.5479 0.5972000      1.096000  
1 1 1 27 3  46 o 5.9090  0.4311 -0.2690000     0.8622000 
1 1 1 27 3  47 o 3.6450  0.6690 -0.4665000     1.338000  
1 1 1 27 3  48 o 2.2980  0.6541 0.5137000      1.308000  
1 1 1 27 3  49 o 1.6120  0.5434 -0.4017000     1.087000  
1 1 1 27 3  50 o 5.0300  0.6133 1.518000       1.227000  
1 1 1 27 3  51 o 1.9740  0.6202 -0.1496000     1.240000  
1 1 1 27 3  52 o 2.6560  0.7007 0.7028000E-01  1.401000  
1 1 1 27 4  0  o 2.4390  1.3360 0.000000       0.000000  
1 1 1 27 4  1  o 8.9510  0.3967 -0.3817000     0.7935000 
1 1 1 27 4  2  o 12.550  0.2889 0.2491000      0.5777000 
1 1 1 27 4  3  o 13.400  0.2817 0.2884000      0.5634000 
1 1 1 27 4  4  f 13.430  0.2798 0.2080000      0.5597000 
1 1 1 27 4  5  o 8.6800  0.3669 0.9166000      0.7339000 
1 1 1 27 4  6  o 4.1990  0.6741 1.969000       1.348000  
1 1 1 27 4  7  o 2.2430  0.6768 0.4063000      1.354000  
1 1 1 27 4  8  o 15.020  0.2391 0.1783000      0.4782000 
1 1 1 27 4  9  o 9.0150  0.3538 1.724000       0.7076000 
1 1 1 27 4  10 o 16.580  0.2563 0.8452000      0.5125000 
1 1 1 27 4  11 o 12.650  0.2449 0.4970000      0.4899000 
1 1 1 27 4  12 o 5.5920  0.5927 1.904000       1.185000  
1 1 1 27 4  13 o 2.4290  0.6742 -0.8476000     1.348000  
1 1 1 27 4  14 o 5.1860  0.6712 1.840000       1.342000  
1 1 1 27 4  15 o 6.3600  0.4621 -0.5337000E-01 0.9242000 
1 1 1 27 4  16 o 6.3690  0.4571 0.3450000      0.9142000 
1 1 1 27 4  17 o 2.9300  0.7222 0.9836000      1.444000  
1 1 1 27 4  18 o 15.310  0.2284 0.6069000      0.4568000 
1 1 1 27 4  19 o 7.9980  0.3575 0.5000000      0.7150000 
1 1 1 27 4  20 o 6.9170  0.4013 -0.2051000E-01 0.8025000 
1 1 1 27 4  21 o 7.5590  0.3731 -0.9323000     0.7462000 
1 1 1 27 4  22 f 5.2090  0.5833 -0.2505000     1.167000  
1 1 1 27 4  23 o 8.4270  0.3832 1.785000       0.7664000 
1 1 1 27 4  24 o 4.0550  0.7005 -1.794000      1.401000  
1 1 1 27 4  25 o 5.6700  0.5236 -0.5770000     1.047000  
1 1 1 27 4  26 o 3.5200  0.7331 -1.238000      1.466000  
1 1 1 27 4  27 o 9.4980  0.3334 0.2683000      0.6669000 
1 1 1 27 4  28 o 10.400  0.3137 0.1499000      0.6274000 
1 1 1 27 4  29 o 2.5200  0.6741 1.050000       1.348000  
1 1 1 27 4  30 o 8.7430  0.3547 0.5324000      0.7093000 
1 1 1 27 4  31 o 5.8940  0.5072 0.5708000E-01  1.014000  
1 1 1 27 4  32 o 3.1920  0.8420 0.2967000      1.684000  
1 1 1 27 4  33 o 5.2560  0.7742 -0.5787000     1.548000  
1 1 1 27 4  34 o 2.0970  0.7008 -0.6396000     1.402000  
1 1 1 27 4  35 o 12.770  0.2834 0.2490000      0.5668000 
1 1 1 27 4  36 f 2.8330  0.7669 0.3393000E-01  1.534000  
1 1 1 27 4  37 o 6.9320  0.5679 -1.012000      1.136000  
1 1 1 27 4  38 o 4.4870  0.5958 0.5255000      1.192000  
1 1 1 27 4  39 o 3.2990  0.6692 -0.3116000     1.338000  
1 1 1 27 4  40 o 6.2020  0.4274 1.166000       0.8548000 
1 1 1 27 4  41 o 2.9110  0.7186 -0.3757000     1.437000  
1 1 1 27 4  42 o 6.9960  0.3527 -0.3006000     0.7054000 
1 1 1 27 4  43 o 4.9880  0.5206 0.3262000      1.041000  
1 1 1 27 4  44 o 2.1260  0.6102 1.189000       1.220000  
1 1 1 27 4  45 o 2.8520  0.6127 1.954000       1.225000  
1 1 1 27 4  46 o 2.4360  0.6791 -0.3173000     1.358000  
1 1 1 27 4  47 o 4.5780  0.5843 1.837000       1.169000  
1 1 1 27 4  48 o 2.1520  0.6439 0.7422000E-01  1.288000  
1 1 1 27 4  49 o 1.8990  0.6030 0.1970000      1.206000  
1 1 1 27 4  50 o 2.7210  0.6848 -1.089000      1.370000  
1 1 1 27 4  51 o 4.7310  0.6299 0.7831000      1.260000  
1 1 1 27 4  52 o 2.0640  0.6381 -0.1932000     1.276000  
1 1 1 27 5  0  o 3.4300  1.3750 0.000000       0.000000  
1 1 1 27 5  1  o 6.4080  0.4564 -0.8971000     0.9128000 
1 1 1 27 5  2  o 15.040  0.2522 0.6613000      0.5044000 
1 1 1 27 5  3  o 3.3740  0.7751 -1.002000      1.550000  
1 1 1 27 5  4  o 4.8230  0.6823 -0.4890000     1.365000  
1 1 1 27 5  5  f 5.9180  0.5538 -0.2782000     1.108000  
1 1 1 27 5  6  o 4.3920  0.7276 -0.9459000E-01 1.455000  
1 1 1 27 5  7  o 2.7150  0.6970 1.458000       1.394000  
1 1 1 27 5  8  o 4.4280  0.7326 0.3219000      1.465000  
1 1 1 27 5  9  o 8.4810  0.3705 -0.1033000     0.7411000 
1 1 1 27 5  10 o 9.0080  0.3520 0.4244000      0.7041000 
1 1 1 27 5  11 f 12.920  0.2404 -0.7256000E-01 0.4808000 
1 1 1 27 5  12 o 8.0110  0.3486 -0.7764000     0.6971000 
1 1 1 27 5  13 o 8.1220  0.3449 -0.9807000     0.6898000 
1 1 1 27 5  14 o 7.0870  0.4607 -1.820000      0.9213000 
1 1 1 27 5  15 o 7.5320  0.3832 -0.4560000E-01 0.7664000 
1 1 1 27 5  16 o 2.6930  0.7053 1.160000       1.411000  
1 1 1 27 5  17 o 3.6720  0.7176 0.5525000      1.435000  
1 1 1 27 5  18 o 13.920  0.2403 -0.2339000     0.4807000 
1 1 1 27 5  19 o 4.1160  0.6332 -2.775000      1.266000  
1 1 1 27 5  20 o 11.390  0.2972 0.3148000      0.5944000 
1 1 1 27 5  21 f 8.2620  0.3842 0.1062000      0.7683000 
1 1 1 27 5  22 o 3.3080  0.7326 0.7414000      1.465000  
1 1 1 27 5  23 o 7.4160  0.4077 -0.9878000E-01 0.8153000 
1 1 1 27 5  24 o 4.0850  0.6629 2.209000       1.326000  
1 1 1 27 5  25 o 10.570  0.3088 -0.4198000     0.6177000 
1 1 1 27 5  26 o 8.8050  0.3614 1.336000       0.7227000 
1 1 1 27 5  27 o 6.6390  0.4579 0.3064000      0.9158000 
1 1 1 27 5  28 o 4.4180  0.6639 1.059000       1.328000  
1 1 1 27 5  29 o 3.0210  0.7413 -0.4963000     1.483000  
1 1 1 27 5  30 o 3.4220  0.7364 -0.7216000E-01 1.473000  
1 1 1 27 5  31 o 4.3700  0.6739 1.742000       1.348000  
1 1 1 27 5  32 o 4.8450  0.8052 -0.3918000     1.610000  
1 1 1 27 5  33 o 5.2270  0.7523 -0.6509000     1.505000  
1 1 1 27 5  34 o 4.1500  0.6666 2.296000       1.333000  
1 1 1 27 5  35 o 3.0030  0.7786 0.7105000E-01  1.557000  
1 1 1 27 5  36 o 3.1540  0.8304 -0.6199000E-01 1.661000  
1 1 1 27 5  37 o 2.7270  0.7088 -0.9522000     1.418000  
1 1 1 27 5  38 o 3.4080  0.6131 -2.563000      1.226000  
1 1 1 27 5  39 f 1.6170  0.5460 0.6002000E-01  1.092000  
1 1 1 27 5  40 o 11.400  0.2470 0.4421000E-01  0.4941000 
1 1 1 27 5  41 o 4.1680  0.5800 -1.014000      1.160000  
1 1 1 27 5  42 o 2.3840  0.6830 -0.8215000     1.366000  
1 1 1 27 5  43 o 2.6290  0.5685 -2.571000      1.137000  
1 1 1 27 5  44 o 4.9660  0.4863 0.4366000      0.9726000 
1 1 1 27 5  45 o 7.5060  0.3295 0.1722000      0.6589000 
1 1 1 27 5  46 o 3.3540  0.6874 0.1823000      1.375000  
1 1 1 27 5  47 o 5.1070  0.5169 0.5833000      1.034000  
1 1 1 27 5  48 o 3.7400  0.6640 0.3751000E-02  1.328000  
1 1 1 27 5  49 o 1.7990  0.5805 0.3802000      1.161000  
1 1 1 27 5  50 o 2.1520  0.6672 -0.2212000     1.334000  
1 1 1 27 5  51 o 3.8200  0.6932 -0.8176000     1.386000  
1 1 1 27 6  0  o 2.0480  1.1740 0.000000       0.000000  
1 1 1 27 6  1  o 12.850  0.3520 ?              ?         
1 1 1 27 6  2  o 4.2840  0.6715 2.350000       1.343000  
1 1 1 27 6  3  o 7.0970  0.4522 0.3874000      0.9043000 
1 1 1 27 6  4  o 5.1120  0.6360 0.2318000      1.272000  
1 1 1 27 6  5  o 6.7200  0.4883 0.8097000      0.9765000 
1 1 1 27 6  6  o 7.8090  0.4165 1.145000       0.8329000 
1 1 1 27 6  7  o 3.5930  0.7302 0.6964000      1.460000  
1 1 1 27 6  8  o 4.1300  0.7261 -1.837000      1.452000  
1 1 1 27 6  9  o 12.140  0.2964 -0.3568000     0.5928000 
1 1 1 27 6  10 o 3.9450  0.7533 0.7095000      1.507000  
1 1 1 27 6  11 o 10.390  0.2974 0.3720000      0.5948000 
1 1 1 27 6  12 o 8.2750  0.3493 0.4036000E-02  0.6985000 
1 1 1 27 6  13 o 1.9710  0.6308 -0.4710000E-01 1.262000  
1 1 1 27 6  14 o 9.1090  0.3215 -0.4990000     0.6429000 
1 1 1 27 6  15 o 4.3800  0.7037 1.213000       1.407000  
1 1 1 27 6  16 o 5.1820  0.5708 -2.463000      1.142000  
1 1 1 27 6  17 o 2.6970  0.7969 -1.207000      1.594000  
1 1 1 27 6  18 o 6.1040  0.5145 -0.5689000     1.029000  
1 1 1 27 6  19 o 2.9960  0.6625 1.890000       1.325000  
1 1 1 27 6  20 o 8.6040  0.3729 0.9860000      0.7459000 
1 1 1 27 6  21 o 2.5200  0.7225 -0.1975000     1.445000  
1 1 1 27 6  22 o 4.4390  0.6580 -0.6332000     1.316000  
1 1 1 27 6  23 o 2.1820  0.6724 -0.7047000     1.345000  
1 1 1 27 6  24 o 4.3350  0.6587 1.249000       1.317000  
1 1 1 27 6  25 o 3.2750  0.7184 0.9735000      1.437000  
1 1 1 27 6  26 o 7.4780  0.4029 0.1667000      0.8058000 
1 1 1 27 6  27 o 6.4530  0.4757 0.9397000      0.9515000 
1 1 1 27 6  28 o 10.360  0.3150 0.7889000      0.6301000 
1 1 1 27 6  29 o 2.6370  0.7134 0.5135000      1.427000  
1 1 1 27 6  30 o 5.7060  0.5282 -0.7835000     1.056000  
1 1 1 27 6  31 o 4.7460  0.7998 -2.837000      1.600000  
1 1 1 27 6  32 o 5.1970  0.9265 0.3111000      1.853000  
1 1 1 27 6  33 f 2.3890  0.7810 -0.7122000     1.562000  
1 1 1 27 6  34 o 3.4950  0.7621 -0.4381000     1.524000  
1 1 1 27 6  35 o 6.7990  0.5849 -0.1826000E-01 1.170000  
1 1 1 27 6  36 o 6.0820  0.6524 0.7188000      1.305000  
1 1 1 27 6  37 f 8.3560  0.4602 -0.8510000     0.9204000 
1 1 1 27 6  38 o 2.8900  0.7437 0.8835000E-01  1.487000  
1 1 1 27 6  39 o 3.3340  0.7157 -1.257000      1.431000  
1 1 1 27 6  40 o 2.0220  0.6249 -0.3588000     1.250000  
1 1 1 27 6  41 o 2.9310  0.7028 -0.7515000E-01 1.406000  
1 1 1 27 6  42 o 4.3250  0.5994 0.8883000      1.199000  
1 1 1 27 6  43 o 5.3160  0.5543 0.8222000      1.109000  
1 1 1 27 6  44 o 1.7700  0.5780 -0.7628000E-01 1.156000  
1 1 1 27 6  45 o 3.4850  0.6702 -0.9792000     1.340000  
1 1 1 27 6  46 o 5.0680  0.5023 -0.1023000     1.005000  
1 1 1 27 6  47 o 4.6100  0.5769 2.025000       1.154000  
1 1 1 27 6  48 o 3.7880  0.7074 0.1038000      1.415000  
1 1 1 27 6  49 o 2.1130  0.6336 -1.120000      1.267000  
1 1 1 27 6  50 o 3.4490  0.7138 0.3333000      1.428000  
1 1 1 27 6  51 o 1.8130  0.5881 0.3692000E-01  1.176000  
1 1 1 27 7  0  o 14.800  0.3233 0.000000       0.000000  
1 1 1 27 7  1  o 3.7280  0.6773 -1.739000      1.355000  
1 1 1 27 7  2  o 12.850  0.2527 0.8984000      0.5054000 
1 1 1 27 7  3  o 4.2880  0.7098 -0.6657000     1.420000  
1 1 1 27 7  4  o 4.6390  0.6936 0.3660000      1.387000  
1 1 1 27 7  5  o 13.220  0.2780 0.2871000      0.5560000 
1 1 1 27 7  6  o 4.9040  0.6617 0.3430000      1.323000  
1 1 1 27 7  7  o 9.5780  0.3150 -0.4170000     0.6300000 
1 1 1 27 7  8  o 4.5270  0.6317 -1.554000      1.263000  
1 1 1 27 7  9  o 6.8560  0.4270 0.4620000      0.8540000 
1 1 1 27 7  10 o 1.7860  0.5883 0.5681000      1.177000  
1 1 1 27 7  11 o 7.1510  0.3796 0.7394000      0.7592000 
1 1 1 27 7  12 o 9.3630  0.2999 0.3001000      0.5998000 
1 1 1 27 7  13 o 8.9400  0.3099 0.7305000      0.6198000 
1 1 1 27 7  14 o 5.0710  0.5445 -0.4630000     1.089000  
1 1 1 27 7  15 o 2.3350  0.6814 -0.3100000     1.363000  
1 1 1 27 7  16 o 8.6910  0.3316 0.9173000      0.6632000 
1 1 1 27 7  17 o 6.9960  0.4425 0.7099000      0.8851000 
1 1 1 27 7  18 o 8.5590  0.3372 1.438000       0.6743000 
1 1 1 27 7  19 o 3.4460  0.8038 0.4331000      1.608000  
1 1 1 27 7  20 o 8.1540  0.3907 1.006000       0.7814000 
1 1 1 27 7  21 o 5.4940  0.5447 -1.753000      1.089000  
1 1 1 27 7  22 o 3.0700  0.6659 1.721000       1.332000  
1 1 1 27 7  23 o 7.7000  0.3917 -0.9007000     0.7834000 
1 1 1 27 7  24 o 9.6540  0.3251 0.6235000E-01  0.6503000 
1 1 1 27 7  25 o 2.2490  0.6832 0.1560000E-01  1.366000  
1 1 1 27 7  26 o 8.0110  0.3814 -0.8493000     0.7628000 
1 1 1 27 7  27 o 3.9510  0.7660 0.4241000      1.532000  
1 1 1 27 7  28 o 2.9170  0.7620 0.9385000      1.524000  
1 1 1 27 7  29 o 6.7880  0.4962 0.6187000      0.9924000 
1 1 1 27 7  30 o 2.3400  0.7489 -0.1435000     1.498000  
1 1 1 27 7  31 o 5.3100  0.9064 -0.4628000     1.813000  
1 1 1 27 7  32 o 3.3860  0.9202 1.255000       1.840000  
1 1 1 27 7  33 o 2.4200  0.7052 0.9068000      1.410000  
1 1 1 27 7  34 o 3.5150  0.7704 -0.6171000     1.541000  
1 1 1 27 7  35 o 2.8380  0.7458 -1.302000      1.492000  
1 1 1 27 7  36 o 3.1460  0.7394 -0.1718000     1.479000  
1 1 1 27 7  37 o 3.1020  0.6729 -1.486000      1.346000  
1 1 1 27 7  38 o 3.4500  0.6806 -0.7503000     1.361000  
1 1 1 27 7  39 o 2.5760  0.6887 -0.2605000     1.377000  
1 1 1 27 7  40 o 4.1580  0.5708 -2.262000      1.142000  
1 1 1 27 7  41 o 1.8870  0.5942 -0.2868000     1.188000  
1 1 1 27 7  42 o 7.2940  0.3556 -0.4734000     0.7112000 
1 1 1 27 7  43 o 2.6930  0.6699 -0.7387000     1.340000  
1 1 1 27 7  44 o 3.7650  0.6647 0.7226000      1.329000  
1 1 1 27 7  45 o 1.8610  0.5696 0.6060000      1.139000  
1 1 1 27 7  46 o 2.1710  0.6287 0.4745000E-01  1.257000  
1 1 1 27 7  47 o 2.9200  0.6773 -0.8240000     1.355000  
1 1 1 27 7  48 o 4.2730  0.5459 0.7103000      1.092000  
1 1 1 27 7  49 o 2.4270  0.6752 1.109000       1.350000  
1 1 1 27 7  50 o 3.6570  0.6013 -0.4846000E-01 1.203000  
1 1 1 27 7  51 o 2.4310  0.6391 0.1757000      1.278000  
1 1 1 27 8  0  o 11.950  0.3722 0.000000       0.000000  
1 1 1 27 8  1  o 2.2580  0.6802 -0.9888000E-01 1.360000  
1 1 1 27 8  2  o 7.9960  0.3593 -0.8243000E-01 0.7187000 
1 1 1 27 8  3  o 5.1210  0.5682 -1.527000      1.136000  
1 1 1 27 8  4  o 2.4490  0.7334 -0.6541000     1.467000  
1 1 1 27 8  5  o 8.5760  0.4066 0.2831000      0.8132000 
1 1 1 27 8  6  o 2.6860  0.7306 1.331000       1.461000  
1 1 1 27 8  7  o 5.1350  0.5452 -0.4284000     1.090000  
1 1 1 27 8  8  o 3.0540  0.7281 -2.003000      1.456000  
1 1 1 27 8  9  o 10.240  0.3376 1.021000       0.6752000 
1 1 1 27 8  10 o 17.830  0.2144 0.8278000      0.4289000 
1 1 1 27 8  11 o 12.580  0.2377 0.4934000      0.4755000 
1 1 1 27 8  12 o 11.420  0.2484 0.7868000E-01  0.4969000 
1 1 1 27 8  13 o 6.0470  0.4251 0.8405000      0.8502000 
1 1 1 27 8  14 o 3.8770  0.6548 -1.476000      1.310000  
1 1 1 27 8  15 o 1.9090  0.6126 0.1433000      1.225000  
1 1 1 27 8  16 o 11.230  0.2656 0.1568000      0.5312000 
1 1 1 27 8  17 o 9.0920  0.3151 0.4051000      0.6302000 
1 1 1 27 8  18 o 8.3890  0.3688 1.105000       0.7375000 
1 1 1 27 8  19 o 2.3050  0.6950 0.4729000      1.390000  
1 1 1 27 8  20 o 6.9460  0.5957 0.7917000      1.191000  
1 1 1 27 8  21 o 4.7570  0.6521 0.9416000      1.304000  
1 1 1 27 8  22 o 4.4120  0.6749 0.6251000E-01  1.350000  
1 1 1 27 8  23 o 6.4430  0.4635 -1.615000      0.9271000 
1 1 1 27 8  24 o 6.6900  0.5079 -0.1572000     1.016000  
1 1 1 27 8  25 o 4.2820  0.7263 -1.563000      1.453000  
1 1 1 27 8  26 o 5.2170  0.6435 -1.079000      1.287000  
1 1 1 27 8  27 o 2.9880  0.7802 -0.2343000     1.560000  
1 1 1 27 8  28 o 5.2350  0.6545 2.120000       1.309000  
1 1 1 27 8  29 o 2.9430  0.8177 -0.7603000     1.635000  
1 1 1 27 8  30 o 2.2380  0.7260 -0.9182000     1.452000  
1 1 1 27 8  31 o 3.7320  0.9450 -1.105000      1.890000  
1 1 1 27 8  32 o 2.8000  0.8215 -1.468000      1.643000  
1 1 1 27 8  33 o 3.1040  0.6389 -2.266000      1.278000  
1 1 1 27 8  34 o 3.0610  0.7641 -0.8479000     1.528000  
1 1 1 27 8  35 o 3.2590  0.7594 0.3731000      1.519000  
1 1 1 27 8  36 o 6.5550  0.4301 -0.8766000     0.8603000 
1 1 1 27 8  37 o 2.8310  0.6970 0.1080000      1.394000  
1 1 1 27 8  38 o 4.8610  0.5443 0.5553000      1.089000  
1 1 1 27 8  39 o 5.9580  0.4403 0.2502000      0.8806000 
1 1 1 27 8  40 o 2.6830  0.6885 0.3505000      1.377000  
1 1 1 27 8  41 o 2.0590  0.6195 -0.6129000     1.239000  
1 1 1 27 8  42 o 2.3640  0.6284 -0.5866000     1.257000  
1 1 1 27 8  43 o 2.2500  0.6424 0.4355000      1.285000  
1 1 1 27 8  44 o 4.1810  0.5887 1.829000       1.177000  
1 1 1 27 8  45 o 1.6760  0.5614 0.3071000      1.123000  
1 1 1 27 8  46 o 2.6130  0.6830 -0.3865000E-01 1.366000  
1 1 1 27 8  47 o 2.7210  0.7035 0.4293000      1.407000  
1 1 1 27 8  48 o 2.2350  0.6441 0.5433000      1.288000  
1 1 1 27 8  49 o 6.6240  0.3469 -0.1003000     0.6939000 
1 1 1 27 8  50 o 6.2210  0.3692 0.1791000      0.7384000 
1 1 1 27 9  0  o 3.7400  1.1830 0.000000       0.000000  
1 1 1 27 9  1  o 11.590  0.2690 0.3174000      0.5380000 
1 1 1 27 9  2  o 6.3440  0.4426 0.9536000      0.8852000 
1 1 1 27 9  3  o 3.5020  0.7041 -1.227000      1.408000  
1 1 1 27 9  4  o 6.6300  0.4768 1.281000       0.9536000 
1 1 1 27 9  5  o 7.4340  0.4313 0.1756000      0.8627000 
1 1 1 27 9  6  o 7.4310  0.4591 -1.106000      0.9181000 
1 1 1 27 9  7  o 3.7840  0.5829 3.376000       1.166000  
1 1 1 27 9  8  o 7.4250  0.4902 -0.5113000     0.9804000 
1 1 1 27 9  9  o 6.4960  0.4920 0.1860000      0.9839000 
1 1 1 27 9  10 o 3.9870  0.7260 -0.2252000E-01 1.452000  
1 1 1 27 9  11 o 6.5150  0.4128 -0.1082000     0.8256000 
1 1 1 27 9  12 o 3.3400  0.7115 -1.695000      1.423000  
1 1 1 27 9  13 o 3.0980  0.6727 1.341000       1.345000  
1 1 1 27 9  14 o 4.4580  0.5920 -0.1878000     1.184000  
1 1 1 27 9  15 o 7.7140  0.3517 0.4972000      0.7034000 
1 1 1 27 9  16 o 13.910  0.2285 -0.6240000E-01 0.4570000 
1 1 1 27 9  17 o 5.7720  0.4666 0.6881000      0.9332000 
1 1 1 27 9  18 o 3.4120  0.7004 -0.2946000     1.401000  
1 1 1 27 9  19 o 8.4780  0.3243 0.6711000      0.6487000 
1 1 1 27 9  20 o 2.4390  0.7110 0.2624000      1.422000  
1 1 1 27 9  21 o 2.4830  0.6622 0.9731000      1.324000  
1 1 1 27 9  22 o 3.3390  0.8508 0.4684000      1.702000  
1 1 1 27 9  23 o 2.4990  0.7005 1.356000       1.401000  
1 1 1 27 9  24 o 3.0180  0.7849 0.1211000      1.570000  
1 1 1 27 9  25 o 4.3550  0.7306 -0.9624000     1.461000  
1 1 1 27 9  26 o 5.6950  0.5879 0.7122000      1.176000  
1 1 1 27 9  27 o 4.3180  0.6707 -0.1215000     1.341000  
1 1 1 27 9  28 o 4.2030  0.7944 -0.1775000     1.589000  
1 1 1 27 9  29 o 3.4830  0.8156 -2.252000      1.631000  
1 1 1 27 9  30 o 2.4390  0.7993 -0.1104000     1.599000  
1 1 1 27 9  31 o 3.6760  0.8470 0.4178000      1.694000  
1 1 1 27 9  32 o 3.1330  0.7079 0.4720000      1.416000  
1 1 1 27 9  33 o 2.7080  0.7043 1.116000       1.409000  
1 1 1 27 9  34 o 4.8620  0.6377 -2.117000      1.275000  
1 1 1 27 9  35 o 4.0430  0.6597 -1.484000      1.319000  
1 1 1 27 9  36 o 2.2780  0.6397 0.5464000      1.279000  
1 1 1 27 9  37 o 6.2230  0.3791 0.7369000      0.7583000 
1 1 1 27 9  38 o 4.2440  0.6195 1.831000       1.239000  
1 1 1 27 9  39 o 7.5130  0.3342 -0.2686000E-01 0.6684000 
1 1 1 27 9  40 o 3.5860  0.5641 -2.834000      1.128000  
1 1 1 27 9  41 o 2.5130  0.6439 0.9540000      1.288000  
1 1 1 27 9  42 o 1.9370  0.5995 0.3774000      1.199000  
1 1 1 27 9  43 o 4.3550  0.5551 0.6352000      1.110000  
1 1 1 27 9  44 o 2.2770  0.6476 -0.8842000     1.295000  
1 1 1 27 9  45 o 2.4970  0.6446 -0.4186000     1.289000  
1 1 1 27 9  46 o 2.9940  0.6263 1.156000       1.253000  
1 1 1 27 9  47 f 4.0160  0.5800 -0.4823000     1.160000  
1 1 1 27 9  48 o 5.3230  0.4605 -0.3932000     0.9211000 
1 1 1 27 9  49 o 2.2390  0.5699 1.160000       1.140000  
1 1 1 27 10 0  o 2.2090  1.1980 0.000000       0.000000  
1 1 1 27 10 1  o 3.4510  0.6271 -2.567000      1.254000  
1 1 1 27 10 2  o 4.0600  0.6528 -1.346000      1.306000  
1 1 1 27 10 3  f 2.9840  0.7145 -1.031000      1.429000  
1 1 1 27 10 4  o 14.010  0.2639 0.3160000      0.5278000 
1 1 1 27 10 5  f 3.1360  0.7736 0.1299000      1.547000  
1 1 1 27 10 6  o 11.320  0.3002 0.9101000      0.6005000 
1 1 1 27 10 7  o 6.7360  0.4682 0.9675000      0.9364000 
1 1 1 27 10 8  o 3.9540  0.7795 0.7656000      1.559000  
1 1 1 27 10 9  f 10.460  0.3252 0.6478000      0.6504000 
1 1 1 27 10 10 f 11.920  0.2786 -0.2993000E-01 0.5572000 
1 1 1 27 10 11 o 3.9600  0.6862 -1.869000      1.372000  
1 1 1 27 10 12 o 14.950  0.2377 -0.3460000     0.4754000 
1 1 1 27 10 13 o 2.7530  0.7289 -0.2733000E-01 1.458000  
1 1 1 27 10 14 o 4.8890  0.5835 -0.2314000     1.167000  
1 1 1 27 10 15 o 3.2560  0.6817 -1.041000      1.363000  
1 1 1 27 10 16 o 7.4880  0.3523 0.3321000      0.7046000 
1 1 1 27 10 17 f 3.7430  0.6583 -0.6510000     1.317000  
1 1 1 27 10 18 o 3.3230  0.6626 1.273000       1.325000  
1 1 1 27 10 19 o 6.9920  0.3752 -0.8151000E-01 0.7504000 
1 1 1 27 10 20 o 6.2170  0.4285 0.5838000      0.8570000 
1 1 1 27 10 21 o 13.020  0.2828 0.3745000      0.5656000 
1 1 1 27 10 22 o 4.0780  0.8434 -0.2809000     1.687000  
1 1 1 27 10 23 o 9.5940  0.4623 -0.2176000     0.9246000 
1 1 1 27 10 24 o 4.4440  0.7293 1.516000       1.459000  
1 1 1 27 10 25 o 5.1690  0.5613 -0.6277000     1.123000  
1 1 1 27 10 26 o 4.6030  0.6419 2.637000       1.284000  
1 1 1 27 10 27 o 5.4230  0.6968 0.1800000E-01  1.394000  
1 1 1 27 10 28 o 2.9060  0.8197 0.9676000E-01  1.639000  
1 1 1 27 10 29 o 4.2190  0.7227 2.155000       1.445000  
1 1 1 27 10 30 o 7.7910  0.4236 -1.124000      0.8472000 
1 1 1 27 10 31 o 2.6850  1.0380 ?              ?         
1 1 1 27 10 32 o 2.9810  0.5862 2.799000       1.172000  
1 1 1 27 10 33 o 3.8650  0.6854 0.2386000      1.371000  
1 1 1 27 10 34 o 2.2440  0.6711 0.1237000E-01  1.342000  
1 1 1 27 10 35 f 4.7070  0.6238 -0.7784000     1.248000  
1 1 1 27 10 36 o 3.9730  0.6185 -0.9073000     1.237000  
1 1 1 27 10 37 o 2.6680  0.6255 1.515000       1.251000  
1 1 1 27 10 38 o 5.1150  0.5439 2.376000       1.088000  
1 1 1 27 10 39 o 5.4720  0.4657 0.3221000      0.9314000 
1 1 1 27 10 40 o 5.9720  0.4455 1.071000       0.8909000 
1 1 1 27 10 41 o 2.4250  0.6509 -0.7957000     1.302000  
1 1 1 27 10 42 o 1.9000  0.6128 -0.7150000     1.226000  
1 1 1 27 10 43 o 2.4690  0.6544 -0.9730000     1.309000  
1 1 1 27 10 44 o 1.7690  0.5406 0.8394000      1.081000  
1 1 1 27 10 45 o 4.1420  0.5662 -0.1280000     1.132000  
1 1 1 27 10 46 o 3.2060  0.6118 1.116000       1.224000  
1 1 1 27 10 47 o 4.0050  0.5644 -1.563000      1.129000  
1 1 1 27 10 48 o 2.1220  0.6004 0.1187000      1.201000  
1 1 1 27 10 49 o 2.3930  0.6268 -0.3301000     1.254000  
1 1 1 27 11 0  o 9.0460  0.4402 0.000000       0.000000  
1 1 1 27 11 1  o 2.3880  0.6813 -0.5750000     1.363000  
1 1 1 27 11 2  o 3.8740  0.6807 -0.1982000     1.361000  
1 1 1 27 11 3  o 5.9730  0.4603 0.6367000E-01  0.9206000 
1 1 1 27 11 4  o 8.0930  0.3916 0.5812000E-01  0.7832000 
1 1 1 27 11 5  o 6.8290  0.4580 0.2136000E-01  0.9159000 
1 1 1 27 11 6  o 7.5230  0.3738 0.1527000      0.7476000 
1 1 1 27 11 7  o 2.5990  0.7389 -0.5546000     1.478000  
1 1 1 27 11 8  o 4.4630  0.6757 -0.9425000     1.351000  
1 1 1 27 11 9  o 8.6280  0.4302 -1.101000      0.8605000 
1 1 1 27 11 10 o 6.6440  0.4407 -0.1672000     0.8815000 
1 1 1 27 11 11 o 3.5850  0.7083 0.8275000      1.417000  
1 1 1 27 11 12 o 10.140  0.3050 0.2881000      0.6101000 
1 1 1 27 11 13 o 3.2080  0.7365 0.1783000      1.473000  
1 1 1 27 11 14 o 2.0030  0.6360 -0.7177000     1.272000  
1 1 1 27 11 15 o 4.9090  0.6120 2.285000       1.224000  
1 1 1 27 11 16 o 2.5400  0.6957 0.4199000      1.391000  
1 1 1 27 11 17 o 5.6620  0.5123 0.7934000      1.025000  
1 1 1 27 11 18 o 2.5990  0.6547 -1.390000      1.309000  
1 1 1 27 11 19 o 3.7340  0.6264 1.801000       1.253000  
1 1 1 27 11 20 o 5.7590  0.5167 -0.6638000E-02 1.033000  
1 1 1 27 11 21 o 8.4030  0.3684 0.3344000E-01  0.7368000 
1 1 1 27 11 22 o 4.6820  0.6027 -0.4253000     1.205000  
1 1 1 27 11 23 o 7.5070  0.3782 -0.3938000     0.7563000 
1 1 1 27 11 24 o 8.5250  0.2868 0.6555000      0.5737000 
1 1 1 27 11 25 o 2.3580  0.7284 -0.5409000     1.457000  
1 1 1 27 11 26 o 5.5370  0.5645 1.472000       1.129000  
1 1 1 27 11 27 o 2.8110  0.7710 0.2418000      1.542000  
1 1 1 27 11 28 o 3.3690  0.7111 1.505000       1.422000  
1 1 1 27 11 29 f 2.6030  0.7143 0.4077000      1.429000  
1 1 1 27 11 30 o 2.9570  0.7662 -0.4603000     1.532000  
1 1 1 27 11 31 f 2.4210  0.7096 -0.6402000E-01 1.419000  
1 1 1 27 11 32 o 5.9980  0.5077 0.3844000      1.015000  
1 1 1 27 11 33 o 3.0310  0.7095 -1.204000      1.419000  
1 1 1 27 11 34 o 6.4040  0.3978 1.754000       0.7955000 
1 1 1 27 11 35 o 1.9180  0.5978 0.7498000E-01  1.196000  
1 1 1 27 11 36 o 1.8460  0.5832 0.2472000      1.166000  
1 1 1 27 11 37 o 3.3050  0.6543 -0.6423000     1.309000  
1 1 1 27 11 38 o 1.8510  0.5837 0.3666000      1.167000  
1 1 1 27 11 39 o 2.0930  0.6006 -1.205000      1.201000  
1 1 1 27 11 40 o 3.2090  0.6640 -0.3497000     1.328000  
1 1 1 27 11 41 o 3.9660  0.6157 2.047000       1.231000  
1 1 1 27 11 42 o 5.7170  0.3970 0.8093000      0.7940000 
1 1 1 27 11 43 o 1.4670  0.4939 -0.5872000E-01 0.9878000 
1 1 1 27 11 44 o 2.3850  0.6211 -1.030000      1.242000  
1 1 1 27 11 45 o 2.8380  0.6276 -0.4347000     1.255000  
1 1 1 27 11 46 o 2.1480  0.5863 -1.456000      1.173000  
1 1 1 27 11 47 o 2.5610  0.5383 1.455000       1.077000  
1 1 1 27 11 48 o 2.1910  0.6215 -0.2365000     1.243000  
1 1 1 27 12 0  o 9.0480  0.4394 0.000000       0.000000  
1 1 1 27 12 1  o 3.4470  0.6999 1.280000       1.400000  
1 1 1 27 12 2  o 5.2300  0.5222 -0.8430000     1.044000  
1 1 1 27 12 3  o 7.6810  0.3647 -1.048000      0.7294000 
1 1 1 27 12 4  o 9.9370  0.3290 -0.4122000     0.6580000 
1 1 1 27 12 5  o 2.7310  0.6858 -1.453000      1.372000  
1 1 1 27 12 6  o 2.4910  0.6965 -0.1195000     1.393000  
1 1 1 27 12 7  o 4.2120  0.7829 -1.015000      1.566000  
1 1 1 27 12 8  o 3.4140  0.7745 -2.494000      1.549000  
1 1 1 27 12 9  o 3.6750  0.7303 0.2823000      1.461000  
1 1 1 27 12 10 o 4.1140  0.6725 0.5369000      1.345000  
1 1 1 27 12 11 o 4.1410  0.6660 0.7914000      1.332000  
1 1 1 27 12 12 o 5.4810  0.5187 2.344000       1.037000  
1 1 1 27 12 13 o 10.670  0.2629 -0.3647000     0.5258000 
1 1 1 27 12 14 o 3.0240  0.6869 -0.6464000     1.374000  
1 1 1 27 12 15 o 6.6790  0.3743 0.2182000      0.7486000 
1 1 1 27 12 16 o 2.4190  0.6684 -0.2311000     1.337000  
1 1 1 27 12 17 o 4.0370  0.6056 -0.5920000     1.211000  
1 1 1 27 12 18 o 3.9980  0.6039 1.205000       1.208000  
1 1 1 27 12 19 o 3.3310  0.7308 0.1242000      1.462000  
1 1 1 27 12 20 o 6.2360  0.4947 -2.098000      0.9894000 
1 1 1 27 12 21 o 2.6800  0.6970 -0.3250000     1.394000  
1 1 1 27 12 22 o 7.9460  0.3048 -0.8851000E-01 0.6095000 
1 1 1 27 12 23 o 3.8170  0.5806 -2.014000      1.161000  
1 1 1 27 12 24 o 4.4340  0.6239 -0.9396000E-01 1.248000  
1 1 1 27 12 25 o 5.6060  0.7852 -0.8327000     1.570000  
1 1 1 27 12 26 o 2.9930  0.7379 0.7990000      1.476000  
1 1 1 27 12 27 o 3.9770  0.6913 2.234000       1.383000  
1 1 1 27 12 28 o 2.3020  0.6875 -0.7993000E-01 1.375000  
1 1 1 27 12 29 o 8.9770  0.4023 1.471000       0.8046000 
1 1 1 27 12 30 o 7.6070  0.3823 0.8367000      0.7645000 
1 1 1 27 12 31 o 2.5970  0.6866 0.8065000      1.373000  
1 1 1 27 12 32 o 5.4900  0.4916 -0.9540000     0.9832000 
1 1 1 27 12 33 o 2.1380  0.6102 0.7105000      1.220000  
1 1 1 27 12 34 o 2.2290  0.6221 -0.9994000     1.244000  
1 1 1 27 12 35 o 3.0230  0.6581 -0.6672000     1.316000  
1 1 1 27 12 36 o 1.7890  0.5699 -0.4754000     1.140000  
1 1 1 27 12 37 o 4.4190  0.5515 1.759000       1.103000  
1 1 1 27 12 38 o 7.7400  0.3174 0.9429000      0.6348000 
1 1 1 27 12 39 o 4.7870  0.5472 -0.1074000     1.094000  
1 1 1 27 12 40 o 5.4350  0.4412 -0.5045000     0.8824000 
1 1 1 27 12 41 f 4.2020  0.5871 -2.539000      1.174000  
1 1 1 27 12 42 o 2.0950  0.5695 0.6354000      1.139000  
1 1 1 27 12 43 o 3.4910  0.5765 -0.2654000     1.153000  
1 1 1 27 12 44 o 3.9040  0.5249 -0.6533000     1.050000  
1 1 1 27 12 45 o 5.2200  0.3964 -0.4519000     0.7929000 
1 1 1 27 12 46 o 1.9800  0.5742 0.3591000E-01  1.148000  
1 1 1 27 12 47 o 1.5200  0.4999 -0.1514000     0.9998000 
1 1 1 27 13 0  o 5.9210  0.5406 0.000000       0.000000  
1 1 1 27 13 1  o 3.3480  0.6335 -0.3572000     1.267000  
1 1 1 27 13 2  o 3.9530  0.5773 -1.407000      1.155000  
1 1 1 27 13 3  o 11.790  0.2455 -0.9842000     0.4909000 
1 1 1 27 13 4  o 7.7270  0.3806 -0.2821000E-01 0.7612000 
1 1 1 27 13 5  o 6.0620  0.4948 2.035000       0.9896000 
1 1 1 27 13 6  o 14.160  0.2323 0.9444000      0.4646000 
1 1 1 27 13 7  o 6.4570  0.5848 1.086000       1.170000  
1 1 1 27 13 8  o 9.4960  0.4051 1.266000       0.8103000 
1 1 1 27 13 9  o 10.830  0.2642 0.2937000      0.5284000 
1 1 1 27 13 10 o 2.9900  0.6991 -0.5763000     1.398000  
1 1 1 27 13 11 o 4.9960  0.5398 1.701000       1.080000  
1 1 1 27 13 12 o 8.6570  0.3062 0.8729000      0.6124000 
1 1 1 27 13 13 o 2.5000  0.6765 -0.4245000     1.353000  
1 1 1 27 13 14 o 4.4630  0.5618 0.9184000      1.124000  
1 1 1 27 13 15 o 4.7300  0.5257 0.1712000      1.051000  
1 1 1 27 13 16 o 9.7980  0.2682 -0.3699000     0.5363000 
1 1 1 27 13 17 o 3.3530  0.6608 -0.6005000     1.322000  
1 1 1 27 13 18 o 7.0330  0.3523 0.5576000      0.7047000 
1 1 1 27 13 19 o 8.5700  0.3470 0.5909000E-01  0.6939000 
1 1 1 27 13 20 o 7.7220  0.3793 0.1045000      0.7587000 
1 1 1 27 13 21 o 10.240  0.3060 0.5383000      0.6121000 
1 1 1 27 13 22 o 6.7990  0.3685 0.3625000E-01  0.7370000 
1 1 1 27 13 23 o 3.3650  0.7677 0.9098000      1.535000  
1 1 1 27 13 24 o 3.3980  0.6186 2.314000       1.237000  
1 1 1 27 13 25 o 6.5020  0.4314 -0.1967000E-01 0.8627000 
1 1 1 27 13 26 o 3.1760  0.6930 1.011000       1.386000  
1 1 1 27 13 27 o 2.2940  0.6738 0.6800000      1.348000  
1 1 1 27 13 28 o 7.9420  0.4397 -0.2992000E-01 0.8794000 
1 1 1 27 13 29 o 2.0410  0.6540 0.3233000      1.308000  
1 1 1 27 13 30 o 4.1810  0.7148 0.7417000      1.430000  
1 1 1 27 13 31 o 5.7260  0.4435 -0.5744000     0.8871000 
1 1 1 27 13 32 f 3.3250  0.5503 -2.859000      1.101000  
1 1 1 27 13 33 o 1.6890  0.5468 0.2416000      1.094000  
1 1 1 27 13 34 o 7.3060  0.3188 0.1319000      0.6377000 
1 1 1 27 13 35 o 2.3330  0.6407 0.4782000E-01  1.281000  
1 1 1 27 13 36 o 2.5670  0.6156 0.9099000E-01  1.231000  
1 1 1 27 13 37 o 3.1820  0.6180 -1.621000      1.236000  
1 1 1 27 13 38 o 2.2030  0.6380 -1.278000      1.276000  
1 1 1 27 13 39 o 4.5100  0.4579 -1.119000      0.9158000 
1 1 1 27 13 40 o 2.4660  0.6189 -0.2997000E-01 1.238000  
1 1 1 27 13 41 f 1.8130  0.5585 -0.2147000     1.117000  
1 1 1 27 13 42 o 5.0900  0.3735 -0.8159000     0.7471000 
1 1 1 27 13 43 o 3.2910  0.5341 0.9536000      1.068000  
1 1 1 27 13 44 o 1.4410  0.4535 0.2444000      0.9069000 
1 1 1 27 13 45 o 3.6450  0.5094 -0.1366000     1.019000  
1 1 1 27 13 46 o 2.0400  0.5876 -0.6679000     1.175000  
1 1 1 27 14 0  o 1.1150  0.7746 0.000000       0.000000  
1 1 1 27 14 1  o 3.7980  0.5862 0.6398000      1.172000  
1 1 1 27 14 2  o 4.3840  0.5245 -0.9153000     1.049000  
1 1 1 27 14 3  o 3.1550  0.6799 0.1651000      1.360000  
1 1 1 27 14 4  o 6.8060  0.3856 0.3052000      0.7711000 
1 1 1 27 14 5  o 5.0770  0.4854 0.2785000      0.9707000 
1 1 1 27 14 6  o 6.4530  0.5163 -0.6584000     1.033000  
1 1 1 27 14 7  o 3.0780  0.7620 -2.003000      1.524000  
1 1 1 27 14 8  o 3.9990  0.5899 -1.295000      1.180000  
1 1 1 27 14 9  o 8.0500  0.3094 1.049000       0.6188000 
1 1 1 27 14 10 o 4.5090  0.5214 -0.9463000     1.043000  
1 1 1 27 14 11 o 1.9540  0.5968 -0.9132000     1.194000  
1 1 1 27 14 12 o 9.5830  0.2613 -0.1072000     0.5226000 
1 1 1 27 14 13 o 5.2320  0.4454 0.3847000      0.8907000 
1 1 1 27 14 14 o 3.1890  0.6492 -0.4090000     1.298000  
1 1 1 27 14 15 o 7.4440  0.3361 -1.340000      0.6722000 
1 1 1 27 14 16 o 5.8550  0.4132 -0.3667000     0.8264000 
1 1 1 27 14 17 o 3.0980  0.6495 1.179000       1.299000  
1 1 1 27 14 18 o 6.8380  0.3413 0.2908000      0.6825000 
1 1 1 27 14 19 o 7.4930  0.3399 -0.1256000     0.6799000 
1 1 1 27 14 20 o 2.9270  0.7329 0.4491000      1.466000  
1 1 1 27 14 21 o 6.1420  0.3687 -0.9999000     0.7373000 
1 1 1 27 14 22 o 2.6720  0.6832 -0.5941000     1.366000  
1 1 1 27 14 23 o 4.9180  0.5672 0.8733000      1.134000  
1 1 1 27 14 24 o 7.1250  0.3756 -0.3912000E-01 0.7512000 
1 1 1 27 14 25 o 2.4790  0.6886 -0.2616000     1.377000  
1 1 1 27 14 26 o 5.5790  0.3803 -0.1131000     0.7607000 
1 1 1 27 14 27 o 4.4330  0.5420 3.135000       1.084000  
1 1 1 27 14 28 o 8.7850  0.2805 0.9534000      0.5611000 
1 1 1 27 14 29 o 6.6440  0.4899 1.277000       0.9797000 
1 1 1 27 14 30 o 4.4900  0.5298 -0.2373000     1.060000  
1 1 1 27 14 31 o 2.3790  0.6883 -0.8114000     1.377000  
1 1 1 27 14 32 o 3.4650  0.5920 1.331000       1.184000  
1 1 1 27 14 33 o 1.6570  0.5240 0.1690000      1.048000  
1 1 1 27 14 34 o 5.6460  0.3664 -0.2817000E-01 0.7327000 
1 1 1 27 14 35 o 3.2390  0.5493 1.594000       1.099000  
1 1 1 27 14 36 o 3.8200  0.6288 -0.9079000     1.258000  
1 1 1 27 14 37 o 8.2370  0.2983 0.5421000      0.5965000 
1 1 1 27 14 38 o 5.9160  0.3731 0.9717000      0.7463000 
1 1 1 27 14 39 o 2.7560  0.5756 0.7859000      1.151000  
1 1 1 27 14 40 o 4.8480  0.4471 0.9708000      0.8942000 
1 1 1 27 14 41 o 2.1940  0.5600 0.6560000      1.120000  
1 1 1 27 14 42 o 2.0150  0.5567 -1.754000      1.113000  
1 1 1 27 14 43 o 2.0200  0.4853 0.7703000      0.9705000 
1 1 1 27 14 44 f 2.0170  0.5114 0.8920000      1.023000  
1 1 1 27 14 45 o 2.1680  0.6252 0.3979000      1.250000  
1 1 1 27 15 0  o 3.1550  1.0750 0.000000       0.000000  
1 1 1 27 15 1  f 7.0010  0.3226 0.1322000      0.6451000 
1 1 1 27 15 2  o 6.1220  0.4212 -0.1822000     0.8425000 
1 1 1 27 15 3  o 11.580  0.2505 0.1321000      0.5010000 
1 1 1 27 15 4  o 2.7320  0.6101 2.142000       1.220000  
1 1 1 27 15 5  o 5.8470  0.5438 -0.7542000     1.088000  
1 1 1 27 15 6  o 7.7630  0.4238 -0.4234000     0.8477000 
1 1 1 27 15 7  o 2.7750  0.6714 0.7687000      1.343000  
1 1 1 27 15 8  o 4.1020  0.5696 -0.2015000     1.139000  
1 1 1 27 15 9  o 4.5080  0.5363 1.238000       1.073000  
1 1 1 27 15 10 o 8.0670  0.2976 -0.4026000     0.5951000 
1 1 1 27 15 11 o 10.420  0.2442 0.3236000      0.4883000 
1 1 1 27 15 12 o 10.520  0.2429 0.4089000      0.4857000 
1 1 1 27 15 13 o 2.0940  0.6126 0.2685000      1.225000  
1 1 1 27 15 14 o 5.3230  0.4226 -0.6186000     0.8452000 
1 1 1 27 15 15 o 3.3450  0.6201 -1.472000      1.240000  
1 1 1 27 15 16 o 8.0380  0.3148 0.1473000E-01  0.6296000 
1 1 1 27 15 17 o 7.5760  0.3331 0.5378000      0.6662000 
1 1 1 27 15 18 o 11.210  0.2504 0.2851000      0.5008000 
1 1 1 27 15 19 o 2.8130  0.7306 0.2766000      1.461000  
1 1 1 27 15 20 o 1.8580  0.5861 -0.6003000     1.172000  
1 1 1 27 15 21 o 5.4960  0.4087 -0.8861000     0.8174000 
1 1 1 27 15 22 o 2.6920  0.6912 -1.495000      1.382000  
1 1 1 27 15 23 o 5.2390  0.5562 0.8877000      1.112000  
1 1 1 27 15 24 o 4.3380  0.6218 2.253000       1.244000  
1 1 1 27 15 25 o 3.3040  0.6162 1.083000       1.232000  
1 1 1 27 15 26 o 7.2210  0.3498 1.268000       0.6996000 
1 1 1 27 15 27 o 1.8190  0.5683 0.6665000      1.137000  
1 1 1 27 15 28 o 2.5120  0.5649 1.474000       1.130000  
1 1 1 27 15 29 o 5.7010  0.4157 2.318000       0.8313000 
1 1 1 27 15 30 o 2.6910  0.6694 -0.7680000     1.339000  
1 1 1 27 15 31 o 2.3640  0.6405 -0.7525000     1.281000  
1 1 1 27 15 32 f 2.4950  0.6064 0.2992000      1.213000  
1 1 1 27 15 33 o 4.3160  0.5141 -1.388000      1.028000  
1 1 1 27 15 34 o 3.4220  0.5601 1.397000       1.120000  
1 1 1 27 15 35 o 3.6300  0.5992 -0.3937000     1.198000  
1 1 1 27 15 36 o 5.6130  0.4279 -0.4503000E-01 0.8558000 
1 1 1 27 15 37 o 5.0780  0.4585 0.3764000      0.9171000 
1 1 1 27 15 38 o 2.3030  0.6069 -0.9271000     1.214000  
1 1 1 27 15 39 o 4.6440  0.4851 1.573000       0.9701000 
1 1 1 27 15 40 o 2.2100  0.5654 -1.967000      1.131000  
1 1 1 27 15 41 o 5.5470  0.3926 1.238000       0.7851000 
1 1 1 27 15 42 o 3.6080  0.5341 -0.4182000E-01 1.068000  
1 1 1 27 15 43 o 3.2670  0.5531 0.4804000      1.106000  
1 1 1 27 15 44 o 1.8290  0.5810 -0.4667000     1.162000  
1 1 1 27 16 0  o 13.810  0.2795 0.000000       0.000000  
1 1 1 27 16 1  o 3.6160  0.6239 0.8865000      1.248000  
1 1 1 27 16 2  o 10.140  0.2768 -0.1936000     0.5536000 
1 1 1 27 16 3  o 5.4280  0.4801 0.5618000      0.9602000 
1 1 1 27 16 4  o 8.0080  0.3345 -0.9704000     0.6690000 
1 1 1 27 16 5  o 3.3180  0.7943 -0.2519000     1.589000  
1 1 1 27 16 6  o 4.1970  0.6255 1.630000       1.251000  
1 1 1 27 16 7  o 2.5660  0.6511 0.3556000      1.302000  
1 1 1 27 16 8  o 2.3550  0.6312 0.5744000      1.262000  
1 1 1 27 16 9  o 3.4420  0.6079 -1.481000      1.216000  
1 1 1 27 16 10 o 3.4300  0.6140 1.055000       1.228000  
1 1 1 27 16 11 o 7.2850  0.3185 -0.1420000E-01 0.6369000 
1 1 1 27 16 12 o 2.0030  0.6045 -0.2673000     1.209000  
1 1 1 27 16 13 o 2.3340  0.6369 0.1431000      1.274000  
1 1 1 27 16 14 o 2.4050  0.6434 0.1585000E-01  1.287000  
1 1 1 27 16 15 o 9.3850  0.2563 -0.5272000     0.5127000 
1 1 1 27 16 16 o 2.4500  0.6474 0.8161000      1.295000  
1 1 1 27 16 17 o 3.8310  0.5896 -2.312000      1.179000  
1 1 1 27 16 18 o 2.6510  0.7180 0.6453000      1.436000  
1 1 1 27 16 19 o 5.8690  0.4809 -2.756000      0.9617000 
1 1 1 27 16 20 o 5.6030  0.5285 0.1595000      1.057000  
1 1 1 27 16 21 o 1.4720  0.4973 0.3790000      0.9946000 
1 1 1 27 16 22 f 2.0420  0.6283 0.8909000E-01  1.257000  
1 1 1 27 16 23 o 3.6940  0.6731 0.6026000      1.346000  
1 1 1 27 16 24 o 3.2480  0.6713 0.9380000      1.343000  
1 1 1 27 16 25 o 4.4880  0.5183 -0.7131000     1.037000  
1 1 1 27 16 26 o 2.2530  0.6313 -1.063000      1.263000  
1 1 1 27 16 27 o 2.5430  0.6447 0.1425000      1.289000  
1 1 1 27 16 28 o 1.7080  0.5260 0.6480000      1.052000  
1 1 1 27 16 29 o 5.3740  0.4233 0.3771000      0.8465000 
1 1 1 27 16 30 o 3.8010  0.5326 1.668000       1.065000  
1 1 1 27 16 31 o 2.2680  0.6407 -0.3236000     1.281000  
1 1 1 27 16 32 o 2.0500  0.5927 -0.3387000     1.185000  
1 1 1 27 16 33 o 4.3910  0.6051 -0.5468000     1.210000  
1 1 1 27 16 34 o 2.2300  0.6330 -1.102000      1.266000  
1 1 1 27 16 35 o 5.5810  0.4289 -0.1517000     0.8579000 
1 1 1 27 16 36 o 1.8950  0.5877 -0.3757000E-01 1.175000  
1 1 1 27 16 37 o 5.0330  0.3949 -0.3771000     0.7898000 
1 1 1 27 16 38 o 2.6540  0.5925 0.3724000      1.185000  
1 1 1 27 16 39 o 1.5070  0.5015 -0.4578000     1.003000  
1 1 1 27 16 40 o 2.3180  0.5654 0.4645000      1.131000  
1 1 1 27 16 41 o 4.3930  0.4620 0.3588000      0.9239000 
1 1 1 27 16 42 o 2.2920  0.6430 -0.3013000     1.286000  
1 1 1 27 17 0  o 5.0930  0.7046 0.000000       0.000000  
1 1 1 27 17 1  o 2.8720  0.7014 -0.6750000     1.403000  
1 1 1 27 17 2  o 4.1600  0.6025 0.1141000      1.205000  
1 1 1 27 17 3  o 2.0080  0.5995 0.5724000      1.199000  
1 1 1 27 17 4  o 7.4810  0.4373 0.2522000E-01  0.8746000 
1 1 1 27 17 5  o 4.5370  0.6664 -0.5830000     1.333000  
1 1 1 27 17 6  o 6.3800  0.3628 0.9862000E-01  0.7256000 
1 1 1 27 17 7  o 1.9100  0.5983 -0.4491000     1.197000  
1 1 1 27 17 8  o 2.6450  0.6545 -0.3148000     1.309000  
1 1 1 27 17 9  o 2.4260  0.6341 0.4397000      1.268000  
1 1 1 27 17 10 o 2.3180  0.6294 -0.7926000     1.259000  
1 1 1 27 17 11 o 7.3900  0.3113 -0.5313000E-01 0.6225000 
1 1 1 27 17 12 o 5.7040  0.3981 0.4817000      0.7962000 
1 1 1 27 17 13 o 3.6390  0.5937 0.4872000      1.187000  
1 1 1 27 17 14 o 5.1740  0.4344 0.3724000      0.8688000 
1 1 1 27 17 15 o 9.2590  0.2684 -0.4931000     0.5367000 
1 1 1 27 17 16 o 1.6030  0.5395 -0.1474000     1.079000  
1 1 1 27 17 17 o 3.5240  0.7584 -0.4481000     1.517000  
1 1 1 27 17 18 o 3.7260  0.6707 -0.7884000     1.341000  
1 1 1 27 17 19 o 2.3480  0.6996 -0.8031000     1.399000  
1 1 1 27 17 20 o 1.9760  0.6224 0.9027000E-01  1.245000  
1 1 1 27 17 21 o 2.0750  0.6143 0.1077000      1.229000  
1 1 1 27 17 22 o 3.1950  0.7195 -0.7604000     1.439000  
1 1 1 27 17 23 o 9.1090  0.3325 0.2213000      0.6649000 
1 1 1 27 17 24 o 3.6250  0.7047 -0.1475000     1.409000  
1 1 1 27 17 25 o 2.7060  0.6616 -0.5647000E-01 1.323000  
1 1 1 27 17 26 o 3.4680  0.6122 0.2479000      1.224000  
1 1 1 27 17 27 o 7.0560  0.3220 0.1922000      0.6439000 
1 1 1 27 17 28 o 5.3210  0.4106 -0.4528000     0.8211000 
1 1 1 27 17 29 o 5.9680  0.3606 1.471000       0.7213000 
1 1 1 27 17 30 o 2.5250  0.5952 0.4209000      1.190000  
1 1 1 27 17 31 o 4.1930  0.4658 -0.6525000     0.9317000 
1 1 1 27 17 32 o 2.7760  0.6333 0.4471000      1.267000  
1 1 1 27 17 33 o 2.6580  0.6754 -1.065000      1.351000  
1 1 1 27 17 34 o 2.4180  0.5385 1.454000       1.077000  
1 1 1 27 17 35 o 1.9130  0.6029 -0.1986000     1.206000  
1 1 1 27 17 36 o 1.9860  0.6027 0.3091000E-02  1.205000  
1 1 1 27 17 37 o 3.1300  0.5641 0.9690000      1.128000  
1 1 1 27 17 38 o 4.8960  0.4827 1.935000       0.9654000 
1 1 1 27 17 39 o 1.7640  0.5150 0.5232000      1.030000  
1 1 1 27 17 40 o 1.7720  0.5182 0.3745000      1.036000  
1 1 1 27 17 41 o 2.3620  0.6268 -1.294000      1.254000  
1 1 1 27 18 0  o 3.8300  1.2130 0.000000       0.000000  
1 1 1 27 18 1  o 3.8070  0.6711 0.7944000      1.342000  
1 1 1 27 18 2  o 5.0770  0.5361 0.8666000E-01  1.072000  
1 1 1 27 18 3  o 5.8640  0.5200 -0.7556000     1.040000  
1 1 1 27 18 4  o 3.9510  0.7150 -0.5419000     1.430000  
1 1 1 27 18 5  f 2.0530  0.6038 0.7730000      1.208000  
1 1 1 27 18 6  o 5.3760  0.4379 0.9341000      0.8758000 
1 1 1 27 18 7  o 3.1810  0.6195 1.166000       1.239000  
1 1 1 27 18 8  o 2.0600  0.6121 -0.5353000E-01 1.224000  
1 1 1 27 18 9  o 3.9440  0.5744 2.145000       1.149000  
1 1 1 27 18 10 o 2.3430  0.6101 1.182000       1.220000  
1 1 1 27 18 11 o 1.8560  0.5829 0.6202000E-01  1.166000  
1 1 1 27 18 12 o 6.5980  0.3541 0.5016000      0.7081000 
1 1 1 27 18 13 o 2.3520  0.6248 0.7447000      1.250000  
1 1 1 27 18 14 o 2.1510  0.5999 -1.321000      1.200000  
1 1 1 27 18 15 o 3.8970  0.6287 2.060000       1.257000  
1 1 1 27 18 16 o 3.6220  0.6679 0.3399000E-01  1.336000  
1 1 1 27 18 17 o 7.2240  0.4311 0.8715000      0.8622000 
1 1 1 27 18 18 o 6.5130  0.3934 -1.307000      0.7869000 
1 1 1 27 18 19 o 4.3800  0.5683 -1.377000      1.137000  
1 1 1 27 18 20 o 2.9210  0.6721 -0.8675000     1.344000  
1 1 1 27 18 21 o 2.6860  0.6393 0.3232000      1.279000  
1 1 1 27 18 22 o 1.4930  0.5137 -0.1633000     1.027000  
1 1 1 27 18 23 o 3.8720  0.6741 1.002000       1.348000  
1 1 1 27 18 24 o 2.6780  0.7236 -0.2878000     1.447000  
1 1 1 27 18 25 o 4.5260  0.5184 0.3486000      1.037000  
1 1 1 27 18 26 o 5.8440  0.4203 1.806000       0.8405000 
1 1 1 27 18 27 o 2.2710  0.6083 0.4312000      1.217000  
1 1 1 27 18 28 o 2.5960  0.5980 -1.394000      1.196000  
1 1 1 27 18 29 f 2.6580  0.6056 0.2604000      1.211000  
1 1 1 27 18 30 o 1.6180  0.5223 -0.3659000     1.045000  
1 1 1 27 18 31 o 3.3770  0.5691 -2.102000      1.138000  
1 1 1 27 18 32 o 2.0820  0.5905 -0.3735000     1.181000  
1 1 1 27 18 33 o 2.3030  0.5982 0.7709000      1.196000  
1 1 1 27 18 34 o 1.5800  0.5175 0.1168000      1.035000  
1 1 1 27 18 35 o 2.6600  0.6872 0.1452000      1.374000  
1 1 1 27 18 36 o 3.1380  0.7072 0.6840000      1.414000  
1 1 1 27 18 37 f 3.2800  0.6257 1.168000       1.251000  
1 1 1 27 18 38 o 1.7360  0.5626 -0.6441000     1.125000  
1 1 1 27 18 39 o 2.8480  0.5062 1.806000       1.012000  
1 1 1 27 19 0  o 5.0250  0.8798 0.000000       0.000000  
1 1 1 27 19 1  o 3.4380  0.6219 2.619000       1.244000  
1 1 1 27 19 2  o 2.6560  0.6262 1.599000       1.252000  
1 1 1 27 19 3  o 3.1930  0.7465 0.1077000      1.493000  
1 1 1 27 19 4  o 5.8330  0.4420 0.1086000      0.8840000 
1 1 1 27 19 5  o 2.9340  0.6312 -1.427000      1.262000  
1 1 1 27 19 6  o 5.5950  0.4303 1.585000       0.8605000 
1 1 1 27 19 7  o 4.4580  0.5216 -0.5176000E-01 1.043000  
1 1 1 27 19 8  o 5.1390  0.4463 -0.4811000     0.8927000 
1 1 1 27 19 9  o 1.9580  0.5978 0.3816000      1.196000  
1 1 1 27 19 10 o 3.3250  0.6478 -0.1402000     1.296000  
1 1 1 27 19 11 o 5.2560  0.4310 -0.5370000     0.8620000 
1 1 1 27 19 12 o 2.2650  0.6318 -0.6088000     1.264000  
1 1 1 27 19 13 o 2.9530  0.6845 0.2006000      1.369000  
1 1 1 27 19 14 o 5.5680  0.4474 0.1100000      0.8949000 
1 1 1 27 19 15 o 5.0430  0.4820 1.069000       0.9639000 
1 1 1 27 19 16 o 5.6140  0.5759 2.359000       1.152000  
1 1 1 27 19 17 o 2.3170  0.5828 1.341000       1.166000  
1 1 1 27 19 18 o 2.6940  0.6823 0.1623000E-01  1.365000  
1 1 1 27 19 19 o 4.8460  0.6231 -1.398000      1.246000  
1 1 1 27 19 20 o 1.6680  0.5496 -0.3663000     1.099000  
1 1 1 27 19 21 o 2.1660  0.6082 -1.059000      1.216000  
1 1 1 27 19 22 o 2.2680  0.6785 -0.6914000     1.357000  
1 1 1 27 19 23 o 3.5870  0.6563 1.562000       1.313000  
1 1 1 27 19 24 o 2.5740  0.7063 -0.2450000     1.413000  
1 1 1 27 19 25 f 3.7960  0.5897 -0.1174000     1.179000  
1 1 1 27 19 26 o 2.8450  0.6547 -1.054000      1.309000  
1 1 1 27 19 27 o 2.7190  0.6160 0.2422000      1.232000  
1 1 1 27 19 28 o 1.9770  0.5819 -0.4319000     1.164000  
1 1 1 27 19 29 o 1.9580  0.5649 0.4018000      1.130000  
1 1 1 27 19 30 o 6.1310  0.3426 1.068000       0.6853000 
1 1 1 27 19 31 o 1.8790  0.5389 0.6939000      1.078000  
1 1 1 27 19 32 o 2.1540  0.5903 -0.2295000     1.181000  
1 1 1 27 19 33 o 1.9000  0.5415 0.5956000      1.083000  
1 1 1 27 19 34 o 1.4760  0.4884 -0.4042000     0.9767000 
1 1 1 27 19 35 o 1.9100  0.5947 -1.211000      1.189000  
1 1 1 27 19 36 o 2.7520  0.7134 -0.1261000     1.427000  
1 1 1 27 19 37 o 2.3430  0.6895 -0.3284000     1.379000  
1 1 1 27 19 38 o 1.6750  0.7020 ?              ?         
1 1 1 27 20 0  o 1.7010  1.0910 0.000000       0.000000  
1 1 1 27 20 1  o 2.0630  0.6615 0.1415000      1.323000  
1 1 1 27 20 2  o 2.7180  0.7552 -0.7529000     1.510000  
1 1 1 27 20 3  o 5.6470  0.4648 0.1393000E-01  0.9297000 
1 1 1 27 20 4  o 2.3020  0.6453 -0.3595000     1.291000  
1 1 1 27 20 5  o 2.7950  0.5914 1.978000       1.183000  
1 1 1 27 20 6  o 5.1320  0.4613 1.348000       0.9226000 
1 1 1 27 20 7  o 1.8640  0.5817 0.8303000E-01  1.163000  
1 1 1 27 20 8  o 4.3510  0.5252 -1.114000      1.050000  
1 1 1 27 20 9  o 2.8990  0.6532 -0.3376000     1.306000  
1 1 1 27 20 10 o 4.1690  0.5461 0.6844000      1.092000  
1 1 1 27 20 11 o 3.8180  0.5832 0.9581000      1.166000  
1 1 1 27 20 12 o 3.7410  0.6861 -0.8866000     1.372000  
1 1 1 27 20 13 o 2.0960  0.5803 0.9937000      1.161000  
1 1 1 27 20 14 o 2.4440  0.6847 -0.8620000     1.369000  
1 1 1 27 20 15 o 9.7150  0.2556 0.8516000      0.5112000 
1 1 1 27 20 16 o 1.8580  0.5788 -0.6325000     1.158000  
1 1 1 27 20 17 o 4.9270  0.4566 0.2608000      0.9132000 
1 1 1 27 20 18 o 1.9120  0.5767 0.4950000      1.153000  
1 1 1 27 20 19 o 6.5050  0.3945 -0.5343000     0.7889000 
1 1 1 27 20 20 o 2.1500  0.6551 -0.4197000     1.310000  
1 1 1 27 20 21 o 2.4090  0.6777 0.6026000      1.355000  
1 1 1 27 20 22 o 1.7500  0.5767 -0.6278000     1.153000  
1 1 1 27 20 23 o 3.3350  0.6843 1.466000       1.369000  
1 1 1 27 20 24 o 3.9100  0.7521 0.4951000      1.504000  
1 1 1 27 20 25 o 2.0220  0.6004 0.3762000      1.201000  
1 1 1 27 20 26 o 2.2270  0.6219 0.2631000E-01  1.244000  
1 1 1 27 20 27 o 2.5280  0.6439 -0.7526000     1.288000  
1 1 1 27 20 28 o 5.8180  0.3840 -0.1107000     0.7681000 
1 1 1 27 20 29 o 2.0400  0.6008 0.5352000E-01  1.202000  
1 1 1 27 20 30 o 2.1790  0.5805 0.7265000      1.161000  
1 1 1 27 20 31 o 4.4850  0.4672 -1.670000      0.9345000 
1 1 1 27 20 32 o 5.8370  0.3618 -0.4535000E-02 0.7236000 
1 1 1 27 20 33 o 2.1750  0.5912 -1.223000      1.182000  
1 1 1 27 20 34 o 2.6150  0.6047 0.3281000      1.209000  
1 1 1 27 20 35 o 3.0390  0.5457 1.193000       1.091000  
1 1 1 27 20 36 o 2.7780  0.6414 1.176000       1.283000  
1 1 1 27 21 0  o 1.7430  1.0940 0.000000       0.000000  
1 1 1 27 21 1  o 1.5550  0.7388 ?              ?         
1 1 1 27 21 2  o 2.3890  0.7225 -1.283000      1.445000  
1 1 1 27 21 3  o 4.4420  0.5338 0.8440000      1.068000  
1 1 1 27 21 4  o 4.8030  0.4990 -1.245000      0.9980000 
1 1 1 27 21 5  o 10.390  0.2534 0.5866000      0.5068000 
1 1 1 27 21 6  o 8.1050  0.3006 0.1549000      0.6012000 
1 1 1 27 21 7  o 1.5450  0.5164 -0.8120000E-01 1.033000  
1 1 1 27 21 8  o 6.0730  0.3699 0.1205000      0.7399000 
1 1 1 27 21 9  o 3.1140  0.6198 -1.354000      1.240000  
1 1 1 27 21 10 o 3.3930  0.6085 -1.247000      1.217000  
1 1 1 27 21 11 o 2.1640  0.6568 -0.8184000E-01 1.314000  
1 1 1 27 21 12 o 3.1740  0.6859 0.2151000      1.372000  
1 1 1 27 21 13 o 4.7720  0.4633 -0.7629000     0.9265000 
1 1 1 27 21 14 o 2.0500  0.5696 1.039000       1.139000  
1 1 1 27 21 15 o 3.1600  0.5826 1.603000       1.165000  
1 1 1 27 21 16 o 4.9000  0.4689 0.8220000      0.9379000 
1 1 1 27 21 17 o 3.8220  0.5359 -2.953000      1.072000  
1 1 1 27 21 18 o 2.3580  0.5797 1.288000       1.159000  
1 1 1 27 21 19 o 2.5670  0.5992 -1.767000      1.198000  
1 1 1 27 21 20 o 2.9690  0.7997 -0.8810000E-01 1.599000  
1 1 1 27 21 21 o 3.8690  0.8216 -0.5252000     1.643000  
1 1 1 27 21 22 o 2.1650  0.6116 0.4927000      1.223000  
1 1 1 27 21 23 o 3.3240  0.7192 -1.218000      1.438000  
1 1 1 27 21 24 o 3.2120  0.6129 1.530000       1.226000  
1 1 1 27 21 25 o 2.2480  0.5811 0.9963000      1.162000  
1 1 1 27 21 26 o 2.1600  0.5648 -1.582000      1.130000  
1 1 1 27 21 27 o 2.1210  0.6012 -0.5742000     1.202000  
1 1 1 27 21 28 o 3.1530  0.5961 -0.8260000     1.192000  
1 1 1 27 21 29 o 1.9900  0.5500 0.8788000      1.100000  
1 1 1 27 21 30 o 4.9840  0.4068 0.3114000E-01  0.8136000 
1 1 1 27 21 31 o 6.0620  0.3368 0.6607000      0.6737000 
1 1 1 27 21 32 o 5.8910  0.3364 -0.4749000     0.6728000 
1 1 1 27 21 33 o 5.3790  0.3634 -0.3313000     0.7269000 
1 1 1 27 22 0  o 1.8490  1.1240 0.000000       0.000000  
1 1 1 27 22 1  o 5.0310  0.5763 1.125000       1.153000  
1 1 1 27 22 2  o 6.1270  0.6619 ?              ?         
1 1 1 27 22 3  o 4.2910  0.6194 0.7041000E-01  1.239000  
1 1 1 27 22 4  o 4.6900  0.5179 1.504000       1.036000  
1 1 1 27 22 5  o 2.1380  0.6203 0.5588000      1.241000  
1 1 1 27 22 6  o 2.8550  0.6501 0.8877000      1.300000  
1 1 1 27 22 7  o 4.9100  0.4770 -0.2110000     0.9539000 
1 1 1 27 22 8  o 2.6040  0.6426 -1.107000      1.285000  
1 1 1 27 22 9  o 2.2820  0.6517 -0.8404000     1.303000  
1 1 1 27 22 10 o 7.0430  0.3352 -0.9657000     0.6703000 
1 1 1 27 22 11 o 2.0300  0.6021 0.6774000      1.204000  
1 1 1 27 22 12 o 3.8760  0.5712 1.667000       1.142000  
1 1 1 27 22 13 o 2.4140  0.5752 1.540000       1.150000  
1 1 1 27 22 14 o 2.9260  0.6363 0.6165000      1.273000  
1 1 1 27 22 15 o 2.2960  0.6193 -1.024000      1.239000  
1 1 1 27 22 16 o 2.8040  0.5254 -2.784000      1.051000  
1 1 1 27 22 17 o 1.5880  0.5206 0.2595000      1.041000  
1 1 1 27 22 18 o 2.3980  0.6004 1.047000       1.201000  
1 1 1 27 22 19 o 2.9430  0.6837 -1.122000      1.367000  
1 1 1 27 22 20 f 2.2290  0.6403 0.1162000      1.281000  
1 1 1 27 22 21 o 4.9120  0.6303 -0.3539000     1.261000  
1 1 1 27 22 22 o 5.3850  0.5683 0.6365000E-01  1.137000  
1 1 1 27 22 23 o 1.5230  0.5048 0.1587000      1.010000  
1 1 1 27 22 24 o 6.8860  0.3755 0.5610000      0.7509000 
1 1 1 27 22 25 o 6.5330  0.4055 0.8805000      0.8110000 
1 1 1 27 22 26 o 4.0230  0.5272 0.5169000      1.054000  
1 1 1 27 22 27 o 5.2990  0.4121 0.8629000      0.8241000 
1 1 1 27 22 28 o 6.5730  0.3268 0.6255000      0.6535000 
1 1 1 27 22 29 o 4.3270  0.4786 -0.4585000     0.9571000 
1 1 1 27 22 30 o 3.3710  0.5870 -0.1498000E-01 1.174000  
1 1 1 27 22 31 o 2.3000  0.5848 0.8591000      1.170000  
1 1 1 27 23 0  o 2.9540  1.2580 0.000000       0.000000  
1 1 1 27 23 1  o 2.9910  0.6802 -0.8732000     1.360000  
1 1 1 27 23 2  o 1.6780  0.5625 0.2108000      1.125000  
1 1 1 27 23 3  o 2.1290  0.6650 0.8624000E-01  1.330000  
1 1 1 27 23 4  o 3.8960  0.6736 -0.3593000     1.347000  
1 1 1 27 23 5  o 3.3960  0.6246 1.362000       1.249000  
1 1 1 27 23 6  o 2.4920  0.6393 0.9802000      1.279000  
1 1 1 27 23 7  o 2.8280  0.6438 -1.599000      1.288000  
1 1 1 27 23 8  o 7.1200  0.3956 0.2068000      0.7913000 
1 1 1 27 23 9  o 4.0540  0.6747 -0.8044000     1.349000  
1 1 1 27 23 10 o 3.6690  0.6125 0.4667000E-01  1.225000  
1 1 1 27 23 11 o 4.4350  0.5214 -0.1576000E-01 1.043000  
1 1 1 27 23 12 o 2.2240  0.6245 -0.8414000     1.249000  
1 1 1 27 23 13 o 5.2450  0.4360 -1.044000      0.8720000 
1 1 1 27 23 14 o 5.0030  0.4680 0.4539000      0.9360000 
1 1 1 27 23 15 o 2.8780  0.5530 -2.631000      1.106000  
1 1 1 27 23 16 f 2.1130  0.6200 -0.2661000     1.240000  
1 1 1 27 23 17 o 2.7470  0.6288 -1.447000      1.258000  
1 1 1 27 23 18 o 2.7870  0.6781 0.7183000      1.356000  
1 1 1 27 23 19 o 2.3540  0.6286 0.9894000      1.257000  
1 1 1 27 23 20 o 2.4680  0.6152 -1.622000      1.230000  
1 1 1 27 23 21 o 6.7550  0.3743 -0.4172000     0.7486000 
1 1 1 27 23 22 f 3.4350  0.6882 -1.268000      1.376000  
1 1 1 27 23 23 o 4.2920  0.5850 -0.9948000     1.170000  
1 1 1 27 23 24 o 4.6850  0.5774 0.8927000      1.155000  
1 1 1 27 23 25 o 2.2890  0.6629 -0.4593000     1.326000  
1 1 1 27 23 26 o 2.4200  0.6245 -0.7749000     1.249000  
1 1 1 27 23 27 o 2.3500  0.6055 0.7814000      1.211000  
1 1 1 27 23 28 o 1.8290  0.5698 0.5841000E-02  1.140000  
1 1 1 27 24 0  o 1.8410  1.0670 0.000000       0.000000  
1 1 1 27 24 1  o 2.1280  0.6367 0.9312000      1.273000  
1 1 1 27 24 2  o 3.7210  0.6554 -1.110000      1.311000  
1 1 1 27 24 3  o 2.8900  0.7086 1.252000       1.417000  
1 1 1 27 24 4  o 3.1780  0.7670 0.2905000      1.534000  
1 1 1 27 24 5  o 4.0850  0.6536 -2.196000      1.307000  
1 1 1 27 24 6  o 2.2220  0.6665 0.3715000E-01  1.333000  
1 1 1 27 24 7  o 5.6250  0.5741 -1.034000      1.148000  
1 1 1 27 24 8  o 3.9860  0.6038 1.818000       1.208000  
1 1 1 27 24 9  o 4.3760  0.5645 -1.677000      1.129000  
1 1 1 27 24 10 o 1.9560  0.6062 0.1847000      1.212000  
1 1 1 27 24 11 o 3.3250  0.6180 1.250000       1.236000  
1 1 1 27 24 12 o 2.8450  0.6357 1.066000       1.271000  
1 1 1 27 24 13 o 3.3640  0.6163 1.411000       1.233000  
1 1 1 27 24 14 o 5.4820  0.4374 0.5382000      0.8748000 
1 1 1 27 24 15 o 4.3060  0.5529 -0.2964000     1.106000  
1 1 1 27 24 16 o 2.8850  0.6462 1.471000       1.292000  
1 1 1 27 24 17 o 5.4470  0.5351 1.786000       1.070000  
1 1 1 27 24 18 o 2.3590  0.6011 -1.782000      1.202000  
1 1 1 27 24 19 o 2.7880  0.5776 1.895000       1.155000  
1 1 1 27 24 20 o 2.8280  0.6323 -1.503000      1.265000  
1 1 1 27 24 21 o 1.7000  0.5452 -0.5577000     1.090000  
1 1 1 27 24 22 o 1.9150  0.5989 -0.3794000     1.198000  
1 1 1 27 24 23 o 2.8270  0.7221 1.822000       1.444000  
1 1 1 27 24 24 o 3.8650  0.6315 1.152000       1.263000  
1 1 1 27 24 25 o 2.5900  0.6819 -0.7648000E-01 1.364000  
1 1 1 27 25 0  o 2.1550  1.1520 0.000000       0.000000  
1 1 1 27 25 1  o 2.6280  0.6677 -0.8466000     1.335000  
1 1 1 27 25 2  o 2.6060  0.7056 0.6670000      1.411000  
1 1 1 27 25 3  o 1.7390  0.5793 0.4401000      1.159000  
1 1 1 27 25 4  o 3.4510  0.7875 -0.3972000     1.575000  
1 1 1 27 25 5  o 3.1150  0.7751 -0.8106000     1.550000  
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1 1 1 27 25 7  o 4.8930  0.5323 1.033000       1.065000  
1 1 1 27 25 8  o 2.8250  0.6934 0.1165000      1.387000  
1 1 1 27 25 9  o 1.9040  0.6036 0.1444000      1.207000  
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1 1 1 28 4  26 o 6.8340  0.4434 -0.2453000     0.8868000 
1 1 1 28 4  27 o 2.8290  0.7411 -0.3177000     1.482000  
1 1 1 28 4  28 o 6.2860  0.6163 -0.3155000     1.233000  
1 1 1 28 4  29 o 3.0670  0.8419 -0.1226000     1.684000  
1 1 1 28 4  30 o 5.8800  0.7541 2.222000       1.508000  
1 1 1 28 4  31 o 2.7700  0.7327 1.379000       1.465000  
1 1 1 28 4  32 o 3.8360  0.7271 1.844000       1.454000  
1 1 1 28 4  33 o 5.5660  0.7300 1.429000       1.460000  
1 1 1 28 4  34 o 4.9750  0.7621 0.3024000      1.524000  
1 1 1 28 4  35 o 4.9280  0.6075 -0.4476000     1.215000  
1 1 1 28 4  36 o 6.0870  0.4942 -0.2077000     0.9884000 
1 1 1 28 4  37 o 5.3900  0.5098 1.483000       1.020000  
1 1 1 28 4  38 o 3.3380  0.6958 0.8194000      1.392000  
1 1 1 28 4  39 o 3.0590  0.7328 0.6915000      1.466000  
1 1 1 28 4  40 o 4.6250  0.5398 0.7911000E-01  1.080000  
1 1 1 28 4  41 o 3.5400  0.6168 1.512000       1.234000  
1 1 1 28 4  42 o 1.8020  0.5688 0.3598000      1.138000  
1 1 1 28 4  43 o 2.6760  0.6492 -1.240000      1.298000  
1 1 1 28 4  44 o 3.7140  0.6290 -0.1412000     1.258000  
1 1 1 28 4  45 o 3.6190  0.6678 -1.238000      1.336000  
1 1 1 28 4  46 o 2.0690  0.6332 0.4314000      1.266000  
1 1 1 28 4  47 o 2.6680  0.6975 0.2276000      1.395000  
1 1 1 28 4  48 o 3.6620  0.6734 0.8160000      1.347000  
1 1 1 28 4  49 o 2.3890  0.6646 -1.082000      1.329000  
1 1 1 28 4  50 o 2.6230  0.7054 -0.4674000     1.411000  
1 1 1 28 5  0  o 1.5110  1.0310 0.000000       0.000000  
1 1 1 28 5  1  o 2.6910  0.7746 -0.3044000     1.549000  
1 1 1 28 5  2  o 6.6810  0.4906 0.1482000      0.9812000 
1 1 1 28 5  3  o 3.8120  0.6722 -2.003000      1.344000  
1 1 1 28 5  4  o 5.5280  0.5271 0.5985000      1.054000  
1 1 1 28 5  5  o 6.3990  0.4556 -0.5185000E-01 0.9112000 
1 1 1 28 5  6  o 7.5100  0.3939 -0.4144000     0.7878000 
1 1 1 28 5  7  o 9.6190  0.2996 0.4994000      0.5991000 
1 1 1 28 5  8  o 10.720  0.2737 0.2908000      0.5475000 
1 1 1 28 5  9  o 12.480  0.2434 0.9393000      0.4868000 
1 1 1 28 5  10 o 4.4550  0.6196 0.2361000      1.239000  
1 1 1 28 5  11 o 13.530  0.2450 0.2283000      0.4900000 
1 1 1 28 5  12 o 9.8560  0.3067 -0.4388000     0.6133000 
1 1 1 28 5  13 o 10.420  0.2904 0.3432000      0.5809000 
1 1 1 28 5  14 o 2.9110  0.7196 -0.8303000     1.439000  
1 1 1 28 5  15 o 4.7110  0.6595 -0.3608000     1.319000  
1 1 1 28 5  16 o 8.0290  0.4040 -2.046000      0.8080000 
1 1 1 28 5  17 f 2.0800  0.6866 -0.3937000     1.373000  
1 1 1 28 5  18 o 9.8400  0.3340 -0.2186000     0.6680000 
1 1 1 28 5  19 o 2.1920  0.6779 0.1388000      1.356000  
1 1 1 28 5  20 o 7.9870  0.3949 0.4972000      0.7899000 
1 1 1 28 5  21 o 3.0610  0.7030 1.343000       1.406000  
1 1 1 28 5  22 o 3.1770  0.7437 0.3393000      1.487000  
1 1 1 28 5  23 o 7.4520  0.4154 0.7074000      0.8308000 
1 1 1 28 5  24 o 2.8740  0.7283 0.5723000      1.457000  
1 1 1 28 5  25 o 3.0810  0.7514 0.5934000E-01  1.503000  
1 1 1 28 5  26 o 7.3780  0.4168 0.4333000      0.8336000 
1 1 1 28 5  27 o 7.1740  0.4452 1.119000       0.8903000 
1 1 1 28 5  28 o 4.0320  0.7928 0.7425000      1.586000  
1 1 1 28 5  29 o 2.8870  0.8286 -1.174000      1.657000  
1 1 1 28 5  30 o 5.4400  0.7463 -0.1312000     1.493000  
1 1 1 28 5  31 o 3.8240  0.7521 -1.338000      1.504000  
1 1 1 28 5  32 o 7.8870  0.5535 2.140000       1.107000  
1 1 1 28 5  33 o 6.6170  0.5993 -0.6070000     1.199000  
1 1 1 28 5  34 o 3.7500  0.8523 -2.277000      1.705000  
1 1 1 28 5  35 o 2.3890  0.6939 -0.9951000     1.388000  
1 1 1 28 5  36 o 5.4450  0.4880 -0.4106000     0.9760000 
1 1 1 28 5  37 o 4.1180  0.6316 -1.648000      1.263000  
1 1 1 28 5  38 o 3.3120  0.6414 1.929000       1.283000  
1 1 1 28 5  39 o 7.9340  0.3528 1.181000       0.7057000 
1 1 1 28 5  40 o 2.7730  0.7376 0.3343000E-01  1.475000  
1 1 1 28 5  41 o 1.8840  0.5944 -0.1142000     1.189000  
1 1 1 28 5  42 o 1.9140  0.5970 -0.5862000     1.194000  
1 1 1 28 5  43 o 5.7700  0.4274 0.8716000      0.8548000 
1 1 1 28 5  44 o 5.3290  0.4683 -2.625000      0.9366000 
1 1 1 28 5  45 o 3.8080  0.6213 0.3829000      1.243000  
1 1 1 28 5  46 o 2.3720  0.6034 1.211000       1.207000  
1 1 1 28 5  47 o 3.3450  0.6523 0.6548000      1.305000  
1 1 1 28 5  48 o 2.5980  0.6968 -0.5422000     1.394000  
1 1 1 28 5  49 o 5.8280  0.4648 -0.2853000     0.9295000 
1 1 1 28 6  0  o 3.3030  1.6150 0.000000       0.000000  
1 1 1 28 6  1  o 5.1240  0.6264 0.1279000      1.253000  
1 1 1 28 6  2  o 9.3910  0.3527 0.1670000      0.7053000 
1 1 1 28 6  3  o 7.0980  0.4106 0.1228000      0.8213000 
1 1 1 28 6  4  o 5.4220  0.5324 -0.2483000     1.065000  
1 1 1 28 6  5  o 2.0920  0.6614 0.3776000      1.323000  
1 1 1 28 6  6  o 2.6490  0.6958 -1.266000      1.392000  
1 1 1 28 6  7  o 3.9120  0.6844 -1.491000      1.369000  
1 1 1 28 6  8  o 7.1450  0.3785 -0.5874000     0.7570000 
1 1 1 28 6  9  o 6.1070  0.4351 0.5205000      0.8701000 
1 1 1 28 6  10 o 7.5200  0.3607 1.580000       0.7214000 
1 1 1 28 6  11 o 2.6580  0.6648 -1.289000      1.330000  
1 1 1 28 6  12 o 9.1470  0.3021 0.3462000      0.6042000 
1 1 1 28 6  13 o 10.310  0.2767 -0.3265000     0.5534000 
1 1 1 28 6  14 o 5.4100  0.4800 0.2255000      0.9600000 
1 1 1 28 6  15 o 2.2360  0.6596 -0.1857000     1.319000  
1 1 1 28 6  16 o 4.0380  0.6382 -0.8705000     1.276000  
1 1 1 28 6  17 o 10.380  0.3247 0.1143000E-01  0.6494000 
1 1 1 28 6  18 o 6.4610  0.5074 0.5546000      1.015000  
1 1 1 28 6  19 o 1.5880  0.5435 -0.1342000     1.087000  
1 1 1 28 6  20 o 3.9860  0.7237 -0.1983000     1.447000  
1 1 1 28 6  21 o 13.960  0.2699 0.9383000      0.5398000 
1 1 1 28 6  22 o 4.0530  0.7090 -1.345000      1.418000  
1 1 1 28 6  23 o 4.7870  0.6220 -0.2476000     1.244000  
1 1 1 28 6  24 o 5.1700  0.5936 0.9188000      1.187000  
1 1 1 28 6  25 o 4.3700  0.6638 1.358000       1.328000  
1 1 1 28 6  26 o 6.4630  0.5044 1.430000       1.009000  
1 1 1 28 6  27 o 2.3600  0.7462 -0.9064000     1.492000  
1 1 1 28 6  28 o 6.4230  0.6216 0.2979000      1.243000  
1 1 1 28 6  29 o 4.4840  0.8335 0.5049000      1.667000  
1 1 1 28 6  30 o 3.5980  0.7667 -1.346000      1.533000  
1 1 1 28 6  31 o 9.9690  0.5205 ?              ?         
1 1 1 28 6  32 o 6.1640  0.6471 -0.4537000     1.294000  
1 1 1 28 6  33 o 2.3310  0.7540 0.5912000      1.508000  
1 1 1 28 6  34 o 6.8360  0.4403 -0.2773000     0.8806000 
1 1 1 28 6  35 o 1.9070  0.6032 0.4811000      1.206000  
1 1 1 28 6  36 o 6.2150  0.4253 -0.5874000     0.8507000 
1 1 1 28 6  37 o 5.9480  0.4512 -0.3320000     0.9023000 
1 1 1 28 6  38 f 4.1090  0.6400 -1.447000      1.280000  
1 1 1 28 6  39 o 3.7160  0.6334 1.991000       1.267000  
1 1 1 28 6  40 o 3.4010  0.6195 -2.669000      1.239000  
1 1 1 28 6  41 o 1.5820  0.5267 0.2471000      1.053000  
1 1 1 28 6  42 o 6.1850  0.4609 0.2540000      0.9217000 
1 1 1 28 6  43 o 2.0550  0.6207 -0.5964000E-01 1.241000  
1 1 1 28 6  44 o 4.4660  0.5668 1.408000       1.134000  
1 1 1 28 6  45 o 2.8290  0.6079 1.616000       1.216000  
1 1 1 28 6  46 o 2.2290  0.6434 0.9198000E-01  1.287000  
1 1 1 28 6  47 o 4.3280  0.5894 2.025000       1.179000  
1 1 1 28 6  48 o 3.5840  0.6195 -2.199000      1.239000  
1 1 1 28 6  49 o 2.6780  0.6012 1.668000       1.202000  
1 1 1 28 7  0  o 14.100  0.3446 0.000000       0.000000  
1 1 1 28 7  1  o 3.0590  0.7737 0.3403000E-01  1.547000  
1 1 1 28 7  2  o 9.7350  0.3711 -0.7310000     0.7422000 
1 1 1 28 7  3  o 4.6140  0.6854 -0.7287000     1.371000  
1 1 1 28 7  4  o 5.8780  0.4823 0.3617000      0.9647000 
1 1 1 28 7  5  o 8.7620  0.3808 0.1979000      0.7616000 
1 1 1 28 7  6  o 9.7990  0.3442 -0.9070000E-01 0.6884000 
1 1 1 28 7  7  o 2.4630  0.7205 0.1047000      1.441000  
1 1 1 28 7  8  o 5.3440  0.4994 1.644000       0.9987000 
1 1 1 28 7  9  o 3.3410  0.6956 0.4538000      1.391000  
1 1 1 28 7  10 o 9.3210  0.2920 0.4532000E-01  0.5839000 
1 1 1 28 7  11 o 5.0960  0.5115 -0.5474000     1.023000  
1 1 1 28 7  12 o 4.4730  0.5905 -1.614000      1.181000  
1 1 1 28 7  13 o 4.7190  0.5971 -1.982000      1.194000  
1 1 1 28 7  14 o 11.050  0.2557 -0.2067000     0.5114000 
1 1 1 28 7  15 o 15.380  0.2099 0.1932000      0.4197000 
1 1 1 28 7  16 o 6.7130  0.3863 -0.9401000     0.7726000 
1 1 1 28 7  17 o 8.2440  0.3198 0.6368000E-01  0.6396000 
1 1 1 28 7  18 o 2.8350  0.7418 -0.3759000     1.484000  
1 1 1 28 7  19 o 3.8510  0.7207 0.9550000      1.441000  
1 1 1 28 7  20 o 3.9070  0.8376 -1.655000      1.675000  
1 1 1 28 7  21 o 8.1540  0.4195 2.526000       0.8391000 
1 1 1 28 7  22 o 5.1170  0.5831 -0.9372000     1.166000  
1 1 1 28 7  23 f 4.7130  0.6284 -0.7059000E-01 1.257000  
1 1 1 28 7  24 o 2.6400  0.7210 -1.213000      1.442000  
1 1 1 28 7  25 o 5.3840  0.5845 1.295000       1.169000  
1 1 1 28 7  26 o 3.8450  0.7859 0.6915000      1.572000  
1 1 1 28 7  27 o 4.1680  0.7774 0.9721000      1.555000  
1 1 1 28 7  28 o 3.2330  0.7742 0.8787000      1.548000  
1 1 1 28 7  29 o 5.9880  0.5539 -0.7277000     1.108000  
1 1 1 28 7  30 o 5.2410  0.6408 -1.777000      1.282000  
1 1 1 28 7  31 o 4.0180  1.2830 ?              ?         
1 1 1 28 7  32 o 6.9020  0.5865 -0.9691000E-01 1.173000  
1 1 1 28 7  33 o 3.7210  0.8522 -0.4655000     1.704000  
1 1 1 28 7  34 o 2.3520  0.6944 0.8657000      1.389000  
1 1 1 28 7  35 o 4.0880  0.7114 0.1920000E-01  1.423000  
1 1 1 28 7  36 o 7.6450  0.4048 -0.3961000E-01 0.8097000 
1 1 1 28 7  37 o 4.4560  0.6748 -0.5937000     1.350000  
1 1 1 28 7  38 o 3.1610  0.6672 2.344000       1.334000  
1 1 1 28 7  39 o 1.8230  0.5933 -0.7400000     1.187000  
1 1 1 28 7  40 o 1.8630  0.6137 0.1483000      1.227000  
1 1 1 28 7  41 o 3.0630  0.6971 0.2229000      1.394000  
1 1 1 28 7  42 o 5.8010  0.4511 -0.9451000     0.9021000 
1 1 1 28 7  43 o 2.4630  0.7065 -0.4371000     1.413000  
1 1 1 28 7  44 o 6.3970  0.4081 -0.5226000     0.8161000 
1 1 1 28 7  45 o 3.6540  0.6642 0.8369000      1.328000  
1 1 1 28 7  46 o 2.6110  0.6790 -1.222000      1.358000  
1 1 1 28 7  47 o 3.4010  0.6881 -1.260000      1.376000  
1 1 1 28 7  48 o 2.1690  0.6511 0.4869000      1.302000  
1 1 1 28 7  49 o 2.8140  0.6793 -0.8076000     1.359000  
1 1 1 28 8  0  o 2.4430  1.2490 0.000000       0.000000  
1 1 1 28 8  1  o 6.1050  0.5253 -0.4018000E-01 1.051000  
1 1 1 28 8  2  o 9.2620  0.3588 -0.5052000     0.7177000 
1 1 1 28 8  3  o 3.0480  0.7962 -0.2396000     1.592000  
1 1 1 28 8  4  o 9.6840  0.3152 -0.8481000E-01 0.6305000 
1 1 1 28 8  5  o 11.370  0.3223 2.160000       0.6446000 
1 1 1 28 8  6  o 10.840  0.3206 0.4130000      0.6412000 
1 1 1 28 8  7  o 3.1200  0.7193 -2.244000      1.439000  
1 1 1 28 8  8  o 5.1370  0.5336 -0.1099000E-01 1.067000  
1 1 1 28 8  9  o 6.9670  0.3935 -0.7649000E-01 0.7871000 
1 1 1 28 8  10 o 2.8530  0.7109 0.5888000      1.422000  
1 1 1 28 8  11 f 11.290  0.2507 0.8066000      0.5015000 
1 1 1 28 8  12 o 8.4790  0.3113 0.3217000      0.6226000 
1 1 1 28 8  13 o 2.5380  0.6738 0.8591000      1.348000  
1 1 1 28 8  14 o 2.6550  0.6552 1.325000       1.310000  
1 1 1 28 8  15 o 2.6140  0.6401 1.505000       1.280000  
1 1 1 28 8  16 o 3.7500  0.6615 1.280000       1.323000  
1 1 1 28 8  17 o 2.4580  0.6391 1.446000       1.278000  
1 1 1 28 8  18 o 9.1930  0.3085 0.9755000      0.6169000 
1 1 1 28 8  19 o 5.2790  0.5016 0.2718000      1.003000  
1 1 1 28 8  20 o 2.7740  0.7713 -0.2823000E-01 1.543000  
1 1 1 28 8  21 o 11.370  0.4124 0.8944000E-01  0.8249000 
1 1 1 28 8  22 o 3.5310  0.8131 -2.333000      1.626000  
1 1 1 28 8  23 o 2.6440  0.7279 -0.9246000     1.456000  
1 1 1 28 8  24 o 6.7600  0.4530 0.2612000      0.9060000 
1 1 1 28 8  25 o 2.8910  0.7935 -0.1006000     1.587000  
1 1 1 28 8  26 o 4.5110  0.7757 0.5828000      1.551000  
1 1 1 28 8  27 o 4.9840  0.7328 -1.018000      1.466000  
1 1 1 28 8  28 o 2.7010  0.7681 -0.7858000E-01 1.536000  
1 1 1 28 8  29 o 2.5040  0.7434 -0.4019000     1.487000  
1 1 1 28 8  30 o 2.7810  0.8006 -0.2258000     1.601000  
1 1 1 28 8  31 o 3.7960  0.9123 -0.4803000     1.825000  
1 1 1 28 8  32 o 5.9670  0.7473 -1.666000      1.495000  
1 1 1 28 8  33 o 2.5310  0.7455 -0.4711000     1.491000  
1 1 1 28 8  34 o 2.1370  0.6408 1.530000       1.282000  
1 1 1 28 8  35 o 3.3640  0.6821 -1.973000      1.364000  
1 1 1 28 8  36 o 2.3700  0.7065 0.1317000E-01  1.413000  
1 1 1 28 8  37 o 3.0260  0.6937 0.9402000      1.387000  
1 1 1 28 8  38 o 1.6820  0.5604 0.1468000      1.121000  
1 1 1 28 8  39 o 3.3710  0.6916 -0.8564000     1.383000  
1 1 1 28 8  40 o 3.1590  0.7061 -0.1267000     1.412000  
1 1 1 28 8  41 o 3.1470  0.7113 -0.6870000E-01 1.423000  
1 1 1 28 8  42 o 4.3760  0.5634 0.3679000      1.127000  
1 1 1 28 8  43 o 3.9610  0.5912 -2.336000      1.182000  
1 1 1 28 8  44 f 2.2430  0.6371 0.1028000      1.274000  
1 1 1 28 8  45 o 3.3900  0.6263 -0.1914000E-01 1.253000  
1 1 1 28 8  46 o 3.4870  0.6321 0.6830000      1.264000  
1 1 1 28 8  47 o 1.6170  0.5432 -0.2958000     1.086000  
1 1 1 28 8  48 o 2.1860  0.6245 -1.236000      1.249000  
1 1 1 28 9  0  o 7.0540  0.5784 0.000000       0.000000  
1 1 1 28 9  1  o 9.5730  0.3693 -0.3284000     0.7386000 
1 1 1 28 9  2  o 10.340  0.3238 0.8257000      0.6476000 
1 1 1 28 9  3  o 5.7460  0.5451 1.435000       1.090000  
1 1 1 28 9  4  o 8.5250  0.3446 0.5184000E-01  0.6891000 
1 1 1 28 9  5  o 7.9330  0.5466 1.910000       1.093000  
1 1 1 28 9  6  o 8.5990  0.3784 -0.9160000     0.7568000 
1 1 1 28 9  7  o 5.9240  0.5465 0.4030000      1.093000  
1 1 1 28 9  8  o 15.510  0.2240 0.7954000      0.4480000 
1 1 1 28 9  9  o 9.7040  0.2980 -0.8405000     0.5960000 
1 1 1 28 9  10 o 9.4010  0.3026 -0.8686000     0.6052000 
1 1 1 28 9  11 o 15.110  0.2224 0.1640000      0.4449000 
1 1 1 28 9  12 o 3.7440  0.6228 2.387000       1.246000  
1 1 1 28 9  13 o 1.8320  0.5854 -0.1605000     1.171000  
1 1 1 28 9  14 o 2.3020  0.6532 -0.9845000     1.306000  
1 1 1 28 9  15 o 3.2550  0.6884 0.8491000      1.377000  
1 1 1 28 9  16 o 3.1060  0.6546 -1.778000      1.309000  
1 1 1 28 9  17 o 1.8900  0.6047 -0.1938000     1.209000  
1 1 1 28 9  18 o 7.0160  0.3796 0.7242000E-01  0.7591000 
1 1 1 28 9  19 o 7.5670  0.3560 -0.6239000     0.7120000 
1 1 1 28 9  20 o 3.9930  0.6375 0.9606000      1.275000  
1 1 1 28 9  21 o 2.1160  0.6484 1.100000       1.297000  
1 1 1 28 9  22 o 5.8190  0.5707 1.711000       1.141000  
1 1 1 28 9  23 o 7.4390  0.7408 4.002000       1.482000  
1 1 1 28 9  24 o 3.0400  0.7516 0.8384000      1.503000  
1 1 1 28 9  25 o 6.3330  0.6699 1.937000       1.340000  
1 1 1 28 9  26 o 3.1900  0.7983 0.1496000      1.597000  
1 1 1 28 9  27 o 3.6260  0.7924 -0.9093000     1.585000  
1 1 1 28 9  28 o 3.3690  0.7781 -1.979000      1.556000  
1 1 1 28 9  29 o 5.1150  0.9696 ?              ?         
1 1 1 28 9  30 o 4.0940  0.8549 0.5608000      1.710000  
1 1 1 28 9  31 o 5.2870  0.8412 -1.479000      1.682000  
1 1 1 28 9  32 o 6.6160  0.5897 0.1487000      1.179000  
1 1 1 28 9  33 o 2.0110  0.5912 1.235000       1.182000  
1 1 1 28 9  34 o 6.8760  0.3924 -0.2834000     0.7849000 
1 1 1 28 9  35 o 6.2260  0.4381 0.6721000      0.8761000 
1 1 1 28 9  36 o 4.6330  0.5754 0.3309000      1.151000  
1 1 1 28 9  37 o 5.6720  0.4808 0.6519000      0.9616000 
1 1 1 28 9  38 o 7.0020  0.3607 1.065000       0.7214000 
1 1 1 28 9  39 o 3.6360  0.6560 0.2162000      1.312000  
1 1 1 28 9  40 o 2.7370  0.6922 0.2675000      1.384000  
1 1 1 28 9  41 o 10.770  0.2829 0.5411000      0.5658000 
1 1 1 28 9  42 o 5.3700  0.4796 0.6665000      0.9592000 
1 1 1 28 9  43 o 2.7900  0.7179 -0.3164000     1.436000  
1 1 1 28 9  44 o 3.7770  0.6931 0.1339000E-01  1.386000  
1 1 1 28 9  45 o 2.1990  0.6843 -0.4793000     1.369000  
1 1 1 28 9  46 o 2.3840  0.6899 -0.4939000E-01 1.380000  
1 1 1 28 9  47 o 2.9120  0.6870 0.1042000      1.374000  
1 1 1 28 10 0  o 1.8500  1.1160 0.000000       0.000000  
1 1 1 28 10 1  o 5.7160  0.5690 -1.172000      1.138000  
1 1 1 28 10 2  o 1.9510  0.6374 0.9899000E-01  1.275000  
1 1 1 28 10 3  o 9.1850  0.3532 -0.4852000     0.7064000 
1 1 1 28 10 4  o 2.5400  0.6524 1.573000       1.305000  
1 1 1 28 10 5  o 10.970  0.3195 0.6988000E-01  0.6391000 
1 1 1 28 10 6  o 9.4000  0.4222 0.1906000E-01  0.8444000 
1 1 1 28 10 7  o 4.6290  0.6141 -0.9591000     1.228000  
1 1 1 28 10 8  o 2.7420  0.6888 -1.366000      1.378000  
1 1 1 28 10 9  o 4.7380  0.5815 -3.413000      1.163000  
1 1 1 28 10 10 o 8.3120  0.3303 0.3211000      0.6607000 
1 1 1 28 10 11 o 5.5670  0.4825 0.8799000      0.9649000 
1 1 1 28 10 12 o 10.950  0.2883 0.2242000      0.5765000 
1 1 1 28 10 13 o 5.7520  0.4903 -0.6274000     0.9806000 
1 1 1 28 10 14 o 6.8400  0.4245 0.5346000      0.8489000 
1 1 1 28 10 15 o 3.8590  0.6456 0.6514000      1.291000  
1 1 1 28 10 16 o 5.9470  0.4308 -0.3928000E-01 0.8616000 
1 1 1 28 10 17 o 4.3580  0.5852 -0.9109000     1.170000  
1 1 1 28 10 18 o 6.6180  0.3912 0.5673000      0.7824000 
1 1 1 28 10 19 o 4.6750  0.5565 0.2693000      1.113000  
1 1 1 28 10 20 o 2.3980  0.6755 -0.1744000     1.351000  
1 1 1 28 10 21 o 1.8600  0.5977 -0.9903000E-01 1.195000  
1 1 1 28 10 22 o 4.4160  0.7154 -1.236000      1.431000  
1 1 1 28 10 23 o 2.6220  0.7927 -0.7771000     1.585000  
1 1 1 28 10 24 o 2.5480  0.7559 0.9195000E-01  1.512000  
1 1 1 28 10 25 o 5.0160  0.9196 ?              ?         
1 1 1 28 10 26 o 2.7930  0.7124 -1.959000      1.425000  
1 1 1 28 10 27 o 2.0290  0.9393 ?              ?         
1 1 1 28 10 28 o 2.8940  1.1130 ?              ?         
1 1 1 28 10 29 o 2.0890  0.6670 0.3675000E-01  1.334000  
1 1 1 28 10 30 o 5.7710  0.6798 -1.793000      1.360000  
1 1 1 28 10 31 o 3.1350  0.8299 -1.002000      1.660000  
1 1 1 28 10 32 o 5.0150  0.5268 1.007000       1.054000  
1 1 1 28 10 33 o 1.6660  0.5543 -0.5218000E-01 1.109000  
1 1 1 28 10 34 o 5.4940  0.4742 0.5759000      0.9484000 
1 1 1 28 10 35 o 2.8620  0.6930 -0.6770000     1.386000  
1 1 1 28 10 36 o 3.1030  0.6939 0.4181000      1.388000  
1 1 1 28 10 37 o 2.7980  0.6873 -0.8188000     1.375000  
1 1 1 28 10 38 o 3.6670  0.6652 -0.2850000     1.330000  
1 1 1 28 10 39 o 2.0170  0.6236 0.2565000      1.247000  
1 1 1 28 10 40 o 6.3620  0.3897 0.4158000      0.7794000 
1 1 1 28 10 41 o 1.8560  0.5918 -0.3035000     1.184000  
1 1 1 28 10 42 o 2.5360  0.6649 0.6436000      1.330000  
1 1 1 28 10 43 o 3.3620  0.6503 0.3187000      1.301000  
1 1 1 28 10 44 o 4.9520  0.4491 -1.314000      0.8982000 
1 1 1 28 10 45 o 3.3240  0.5227 3.005000       1.045000  
1 1 1 28 10 46 o 1.6500  0.5519 -0.6321000     1.104000  
1 1 1 28 10 47 o 3.0390  0.6364 0.1443000      1.273000  
1 1 1 28 11 0  o 4.6330  0.9036 0.000000       0.000000  
1 1 1 28 11 1  o 4.8210  0.6361 2.372000       1.272000  
1 1 1 28 11 2  o 5.7770  0.5337 0.4375000      1.067000  
1 1 1 28 11 3  o 4.9060  0.6317 -0.1935000     1.263000  
1 1 1 28 11 4  o 4.0980  0.6597 -1.037000      1.319000  
1 1 1 28 11 5  o 2.2080  0.6880 -0.2324000     1.376000  
1 1 1 28 11 6  o 2.5960  0.7395 -0.5822000     1.479000  
1 1 1 28 11 7  o 4.8130  0.5764 0.7012000      1.153000  
1 1 1 28 11 8  o 6.2560  0.4851 1.352000       0.9701000 
1 1 1 28 11 9  o 3.7460  0.6552 1.369000       1.310000  
1 1 1 28 11 10 o 9.2570  0.3337 0.7310000      0.6673000 
1 1 1 28 11 11 o 8.5250  0.3480 -0.5749000     0.6959000 
1 1 1 28 11 12 o 1.7040  0.5733 -0.1019000     1.147000  
1 1 1 28 11 13 o 7.3620  0.3956 0.4266000      0.7912000 
1 1 1 28 11 14 o 7.9510  0.3600 -0.7665000     0.7199000 
1 1 1 28 11 15 o 12.260  0.2656 0.4210000      0.5313000 
1 1 1 28 11 16 o 8.5680  0.3419 0.2697000      0.6838000 
1 1 1 28 11 17 o 5.1150  0.6006 2.265000       1.201000  
1 1 1 28 11 18 o 4.7930  0.5416 1.563000       1.083000  
1 1 1 28 11 19 o 5.7800  0.4479 0.4156000      0.8957000 
1 1 1 28 11 20 o 9.1820  0.3243 -0.1056000     0.6486000 
1 1 1 28 11 21 o 3.0040  0.7250 -0.1557000     1.450000  
1 1 1 28 11 22 o 4.4980  0.6282 0.8125000E-01  1.256000  
1 1 1 28 11 23 o 6.9470  0.4113 -0.7092000     0.8226000 
1 1 1 28 11 24 o 2.2390  0.7225 0.6175000      1.445000  
1 1 1 28 11 25 o 2.7200  0.8046 0.3231000      1.609000  
1 1 1 28 11 26 o 3.4120  0.8763 0.8546000      1.753000  
1 1 1 28 11 27 o 3.5110  1.0190 ?              ?         
1 1 1 28 11 28 o 6.7160  0.5489 1.910000       1.098000  
1 1 1 28 11 29 o 2.7050  0.8036 -0.7262000     1.607000  
1 1 1 28 11 30 o 11.150  0.3119 0.8843000      0.6239000 
1 1 1 28 11 31 o 5.7160  0.4705 0.5568000      0.9411000 
1 1 1 28 11 32 o 4.1940  0.5755 2.341000       1.151000  
1 1 1 28 11 33 o 3.0710  0.6601 0.9970000      1.320000  
1 1 1 28 11 34 o 6.3280  0.3881 0.7502000E-01  0.7762000 
1 1 1 28 11 35 o 2.6900  0.5555 -2.531000      1.111000  
1 1 1 28 11 36 o 4.3220  0.5617 -0.1365000     1.123000  
1 1 1 28 11 37 o 2.8450  0.6592 -1.060000      1.318000  
1 1 1 28 11 38 o 2.3380  0.6332 0.9058000      1.266000  
1 1 1 28 11 39 o 2.8690  0.6758 0.2456000      1.352000  
1 1 1 28 11 40 o 2.5380  0.6553 -0.8978000     1.311000  
1 1 1 28 11 41 o 1.9310  0.5856 0.9223000      1.171000  
1 1 1 28 11 42 f 2.4100  0.6881 -0.7946000E-01 1.376000  
1 1 1 28 11 43 o 4.0360  0.5573 0.8194000      1.115000  
1 1 1 28 11 44 o 4.9950  0.4416 -1.078000      0.8833000 
1 1 1 28 11 45 o 7.9420  0.2932 0.7285000      0.5864000 
1 1 1 28 11 46 o 1.7970  0.5684 -0.3996000     1.137000  
1 1 1 28 12 0  o 5.7430  0.6640 0.000000       0.000000  
1 1 1 28 12 1  o 3.0390  0.7043 -1.293000      1.409000  
1 1 1 28 12 2  o 8.3660  0.3831 -1.363000      0.7662000 
1 1 1 28 12 3  o 5.2160  0.5278 -0.3382000     1.056000  
1 1 1 28 12 4  o 2.0250  0.6515 -0.3106000     1.303000  
1 1 1 28 12 5  o 5.1530  0.6061 -2.629000      1.212000  
1 1 1 28 12 6  o 4.0320  0.6794 1.954000       1.359000  
1 1 1 28 12 7  o 4.8840  0.5588 0.4961000      1.118000  
1 1 1 28 12 8  o 5.7730  0.5945 4.014000       1.189000  
1 1 1 28 12 9  o 8.1470  0.3654 0.2478000      0.7308000 
1 1 1 28 12 10 o 6.1730  0.4619 -0.4845000     0.9238000 
1 1 1 28 12 11 o 7.7310  0.3817 0.7351000      0.7634000 
1 1 1 28 12 12 o 3.6820  0.7140 -0.6598000     1.428000  
1 1 1 28 12 13 o 10.470  0.2930 -0.9868000E-01 0.5859000 
1 1 1 28 12 14 o 8.1660  0.3550 -0.5434000     0.7101000 
1 1 1 28 12 15 o 1.8420  0.5993 -0.1993000E-01 1.199000  
1 1 1 28 12 16 o 5.6700  0.4350 0.5119000      0.8700000 
1 1 1 28 12 17 o 4.1960  0.5815 -0.5870000     1.163000  
1 1 1 28 12 18 o 7.9720  0.3190 -0.2440000E-01 0.6380000 
1 1 1 28 12 19 o 4.4900  0.5617 1.357000       1.123000  
1 1 1 28 12 20 o 7.3490  0.3423 0.3961000      0.6846000 
1 1 1 28 12 21 o 3.5290  0.6454 0.9570000      1.291000  
1 1 1 28 12 22 o 6.7430  0.3609 -0.8859000     0.7219000 
1 1 1 28 12 23 o 2.5460  0.6615 -1.014000      1.323000  
1 1 1 28 12 24 o 3.3650  0.7329 -0.9145000     1.466000  
1 1 1 28 12 25 o 5.5780  0.7039 -2.024000      1.408000  
1 1 1 28 12 26 o 2.4210  0.6799 -1.093000      1.360000  
1 1 1 28 12 27 o 4.5220  0.7504 -0.3607000     1.501000  
1 1 1 28 12 28 o 6.9160  0.5797 -0.2511000     1.159000  
1 1 1 28 12 29 o 2.3010  0.6868 -0.1765000     1.374000  
1 1 1 28 12 30 o 6.5130  0.6454 1.194000       1.291000  
1 1 1 28 12 31 o 2.6570  0.6812 0.5371000      1.362000  
1 1 1 28 12 32 o 3.1260  0.6634 0.3371000E-01  1.327000  
1 1 1 28 12 33 o 1.9920  0.6077 0.3852000      1.215000  
1 1 1 28 12 34 o 2.7720  0.6297 1.496000       1.259000  
1 1 1 28 12 35 o 2.1580  0.5996 -1.318000      1.199000  
1 1 1 28 12 36 o 1.8190  0.5751 -0.5429000     1.150000  
1 1 1 28 12 37 o 2.8870  0.6486 -1.075000      1.297000  
1 1 1 28 12 38 o 4.6970  0.5113 -1.182000      1.023000  
1 1 1 28 12 39 o 2.2610  0.6461 0.8839000E-01  1.292000  
1 1 1 28 12 40 o 2.6660  0.7036 -0.5791000     1.407000  
1 1 1 28 12 41 o 9.2440  0.2943 -0.1925000     0.5887000 
1 1 1 28 12 42 o 3.2530  0.6963 -0.6250000     1.393000  
1 1 1 28 12 43 o 3.0000  0.6255 0.3630000E-01  1.251000  
1 1 1 28 12 44 o 3.7260  0.5697 -0.4626000     1.139000  
1 1 1 28 12 45 o 2.2070  0.5921 0.5149000      1.184000  
1 1 1 28 13 0  o 2.6900  1.2340 0.000000       0.000000  
1 1 1 28 13 1  o 4.6740  0.6805 -1.151000      1.361000  
1 1 1 28 13 2  o 10.470  0.3109 1.060000       0.6219000 
1 1 1 28 13 3  f 5.3760  0.4744 -0.4749000     0.9488000 
1 1 1 28 13 4  o 3.8150  0.7321 0.2505000E-01  1.464000  
1 1 1 28 13 5  o 6.4690  0.4794 0.7525000      0.9589000 
1 1 1 28 13 6  o 5.2750  0.5288 1.016000       1.058000  
1 1 1 28 13 7  o 9.6030  0.2884 -0.2107000     0.5769000 
1 1 1 28 13 8  o 1.9270  0.6092 -0.4595000     1.218000  
1 1 1 28 13 9  o 3.1650  0.6891 -0.6924000     1.378000  
1 1 1 28 13 10 o 4.6130  0.5578 0.9653000      1.116000  
1 1 1 28 13 11 o 3.3500  0.6468 1.427000       1.294000  
1 1 1 28 13 12 o 7.2860  0.3542 0.7646000      0.7084000 
1 1 1 28 13 13 o 3.4690  0.6533 -1.149000      1.307000  
1 1 1 28 13 14 o 4.4650  0.6338 -1.936000      1.268000  
1 1 1 28 13 15 o 2.0990  0.6169 -0.9216000     1.234000  
1 1 1 28 13 16 o 6.5140  0.3830 0.8358000      0.7659000 
1 1 1 28 13 17 o 3.4160  0.6605 0.2397000      1.321000  
1 1 1 28 13 18 o 9.2040  0.2833 -0.2856000     0.5666000 
1 1 1 28 13 19 o 6.5560  0.3876 1.019000       0.7752000 
1 1 1 28 13 20 o 6.8700  0.3690 1.021000       0.7379000 
1 1 1 28 13 21 o 3.6150  0.6587 -0.6079000     1.317000  
1 1 1 28 13 22 o 2.3790  0.7267 1.134000       1.453000  
1 1 1 28 13 23 o 3.6490  0.7062 3.114000       1.412000  
1 1 1 28 13 24 o 3.1680  0.8081 1.220000       1.616000  
1 1 1 28 13 25 f 4.4550  0.6632 -0.2441000E-01 1.326000  
1 1 1 28 13 26 o 3.6220  0.6766 0.3945000      1.353000  
1 1 1 28 13 27 o 2.7680  0.7329 -0.2840000     1.466000  
1 1 1 28 13 28 o 5.4750  0.7634 2.462000       1.527000  
1 1 1 28 13 29 o 2.2210  0.6590 0.2101000      1.318000  
1 1 1 28 13 30 o 1.9550  0.6062 -0.2887000     1.212000  
1 1 1 28 13 31 o 3.7400  0.6162 -0.4399000     1.232000  
1 1 1 28 13 32 o 2.5190  0.6894 -0.1960000     1.379000  
1 1 1 28 13 33 o 6.2260  0.3959 1.465000       0.7918000 
1 1 1 28 13 34 o 6.5530  0.3716 1.099000       0.7431000 
1 1 1 28 13 35 o 3.0690  0.6673 0.1473000      1.335000  
1 1 1 28 13 36 o 5.2770  0.4425 -0.1274000E-01 0.8851000 
1 1 1 28 13 37 o 2.1440  0.6225 -0.6507000     1.245000  
1 1 1 28 13 38 o 2.8800  0.6718 -0.1449000     1.344000  
1 1 1 28 13 39 o 3.1660  0.7078 -0.5016000     1.416000  
1 1 1 28 13 40 o 3.1000  0.5521 -2.949000      1.104000  
1 1 1 28 13 41 o 2.0430  0.6239 0.6072000      1.248000  
1 1 1 28 13 42 o 4.2650  0.5223 1.135000       1.045000  
1 1 1 28 13 43 o 2.2190  0.5954 -0.8747000     1.191000  
1 1 1 28 13 44 o 2.5400  0.5835 -1.846000      1.167000  
1 1 1 28 14 0  o 2.7390  1.2410 0.000000       0.000000  
1 1 1 28 14 1  o 9.5700  0.2793 0.2506000      0.5585000 
1 1 1 28 14 2  o 4.3240  0.5855 0.6876000      1.171000  
1 1 1 28 14 3  o 2.8760  0.6214 -1.645000      1.243000  
1 1 1 28 14 4  f 5.6530  0.5390 1.041000       1.078000  
1 1 1 28 14 5  o 4.8900  0.6868 0.3954000      1.374000  
1 1 1 28 14 6  o 9.1490  0.2803 0.4911000      0.5606000 
1 1 1 28 14 7  o 2.1090  0.6262 -0.5691000     1.252000  
1 1 1 28 14 8  o 7.5820  0.3248 1.134000       0.6495000 
1 1 1 28 14 9  o 6.9650  0.3401 0.4948000E-01  0.6801000 
1 1 1 28 14 10 o 8.9020  0.2759 0.1496000      0.5519000 
1 1 1 28 14 11 o 6.9160  0.3358 -0.5827000     0.6715000 
1 1 1 28 14 12 f 7.6780  0.3147 0.8588000      0.6293000 
1 1 1 28 14 13 o 4.0290  0.5686 0.6615000      1.137000  
1 1 1 28 14 14 o 3.4670  0.6218 0.3777000      1.244000  
1 1 1 28 14 15 o 2.5820  0.6531 0.1053000      1.306000  
1 1 1 28 14 16 o 5.8030  0.3985 0.4021000      0.7970000 
1 1 1 28 14 17 o 6.0610  0.4249 -1.028000      0.8497000 
1 1 1 28 14 18 o 3.2180  0.5915 -2.403000      1.183000  
1 1 1 28 14 19 o 7.2660  0.3651 -0.2142000     0.7302000 
1 1 1 28 14 20 o 3.7600  0.6834 0.1400000      1.367000  
1 1 1 28 14 21 f 2.8640  0.6526 -1.628000      1.305000  
1 1 1 28 14 22 o 3.1840  0.7113 -1.971000      1.423000  
1 1 1 28 14 23 o 2.7170  0.7106 0.3368000      1.421000  
1 1 1 28 14 24 o 4.3690  0.6397 0.1469000      1.279000  
1 1 1 28 14 25 o 6.5240  0.3733 -1.013000      0.7466000 
1 1 1 28 14 26 o 2.7160  0.6067 1.701000       1.213000  
1 1 1 28 14 27 o 4.1790  0.7567 0.6965000E-01  1.513000  
1 1 1 28 14 28 o 2.6610  0.6997 -0.8354000     1.399000  
1 1 1 28 14 29 o 2.3230  0.5915 1.229000       1.183000  
1 1 1 28 14 30 o 4.9210  0.4497 0.4543000      0.8995000 
1 1 1 28 14 31 o 2.6060  0.6653 -0.5593000     1.331000  
1 1 1 28 14 32 o 6.2900  0.3590 0.9639000      0.7181000 
1 1 1 28 14 33 o 5.7620  0.4380 0.7598000      0.8759000 
1 1 1 28 14 34 o 4.8410  0.4446 0.7159000E-01  0.8892000 
1 1 1 28 14 35 o 6.1210  0.3454 -0.1363000     0.6907000 
1 1 1 28 14 36 o 2.2580  0.5657 0.9555000      1.131000  
1 1 1 28 14 37 o 2.0970  0.6118 -0.1136000     1.224000  
1 1 1 28 14 38 o 2.9760  0.6159 1.599000       1.232000  
1 1 1 28 14 39 o 2.6610  0.6755 0.7929000      1.351000  
1 1 1 28 14 40 o 1.7250  0.5362 -1.549000      1.072000  
1 1 1 28 14 41 o 2.5500  0.5320 1.450000       1.064000  
1 1 1 28 14 42 o 1.9760  0.5660 0.2153000      1.132000  
1 1 1 28 14 43 o 2.5220  0.5648 0.3083000      1.130000  
1 1 1 28 15 0  o 2.1770  1.1840 0.000000       0.000000  
1 1 1 28 15 1  o 8.6230  0.3039 0.6968000      0.6079000 
1 1 1 28 15 2  o 3.0190  0.6266 1.369000       1.253000  
1 1 1 28 15 3  o 8.6440  0.3511 0.7888000      0.7023000 
1 1 1 28 15 4  o 5.4040  0.6650 1.586000       1.330000  
1 1 1 28 15 5  f 3.9390  0.6160 0.3445000      1.232000  
1 1 1 28 15 6  o 12.150  0.2250 0.1971000      0.4500000 
1 1 1 28 15 7  o 6.6880  0.3522 -1.133000      0.7044000 
1 1 1 28 15 8  o 6.5550  0.3518 -0.5531000     0.7035000 
1 1 1 28 15 9  o 4.7690  0.4905 -1.581000      0.9809000 
1 1 1 28 15 10 o 5.7220  0.4036 0.3860000      0.8072000 
1 1 1 28 15 11 o 2.5630  0.6538 -0.6260000     1.308000  
1 1 1 28 15 12 o 3.7440  0.5963 0.6297000      1.193000  
1 1 1 28 15 13 o 4.8220  0.4865 0.4180000      0.9730000 
1 1 1 28 15 14 o 3.3990  0.6097 1.147000       1.219000  
1 1 1 28 15 15 o 3.4200  0.6318 -0.5981000     1.264000  
1 1 1 28 15 16 o 5.3200  0.4536 0.5145000      0.9072000 
1 1 1 28 15 17 o 7.3430  0.3677 1.092000       0.7354000 
1 1 1 28 15 18 o 4.3140  0.6103 0.6534000      1.221000  
1 1 1 28 15 19 o 3.8270  0.8088 -0.4962000     1.618000  
1 1 1 28 15 20 o 3.3480  0.5902 2.077000       1.180000  
1 1 1 28 15 21 o 5.1360  0.5729 -0.5351000     1.146000  
1 1 1 28 15 22 o 7.5670  0.3375 -0.1337000     0.6751000 
1 1 1 28 15 23 o 6.2510  0.4138 -0.7439000     0.8276000 
1 1 1 28 15 24 o 3.7760  0.6105 -1.837000      1.221000  
1 1 1 28 15 25 o 6.0980  0.5985 -0.7533000     1.197000  
1 1 1 28 15 26 o 2.5130  0.7196 -0.2772000E-01 1.439000  
1 1 1 28 15 27 o 3.2060  0.6524 1.472000       1.305000  
1 1 1 28 15 28 o 2.9110  0.5412 2.010000       1.082000  
1 1 1 28 15 29 o 6.4310  0.3151 1.337000       0.6301000 
1 1 1 28 15 30 o 6.4080  0.3344 -1.566000      0.6689000 
1 1 1 28 15 31 o 3.2160  0.5662 -2.412000      1.132000  
1 1 1 28 15 32 o 5.3730  0.4205 -1.866000      0.8411000 
1 1 1 28 15 33 o 1.8280  0.5770 -0.2768000     1.154000  
1 1 1 28 15 34 o 3.2830  0.6402 -0.7920000     1.280000  
1 1 1 28 15 35 o 1.9030  0.5488 0.6345000      1.098000  
1 1 1 28 15 36 o 4.5550  0.5605 1.646000       1.121000  
1 1 1 28 15 37 o 2.0000  0.6141 0.5382000      1.228000  
1 1 1 28 15 38 o 3.0150  0.6681 -0.7550000     1.336000  
1 1 1 28 15 39 o 3.0690  0.5269 1.914000       1.054000  
1 1 1 28 15 40 o 2.1380  0.5540 0.7586000      1.108000  
1 1 1 28 15 41 f 2.6720  0.5679 0.9017000      1.136000  
1 1 1 28 16 0  o 3.7960  1.1030 0.000000       0.000000  
1 1 1 28 16 1  o 2.3710  0.6811 -0.1336000     1.362000  
1 1 1 28 16 2  o 3.5320  0.6510 -0.3802000     1.302000  
1 1 1 28 16 3  o 7.1740  0.4780 0.2337000      0.9560000 
1 1 1 28 16 4  o 8.0350  0.4109 -0.8177000     0.8219000 
1 1 1 28 16 5  o 2.0920  0.6211 -0.3643000     1.242000  
1 1 1 28 16 6  o 3.9520  0.5760 -0.9504000     1.152000  
1 1 1 28 16 7  o 2.0830  0.5979 0.7400000      1.196000  
1 1 1 28 16 8  o 3.9130  0.5793 -1.137000      1.159000  
1 1 1 28 16 9  o 4.9400  0.5454 -2.352000      1.091000  
1 1 1 28 16 10 o 9.2040  0.2775 1.231000       0.5550000 
1 1 1 28 16 11 o 5.9570  0.4143 1.329000       0.8286000 
1 1 1 28 16 12 o 7.8890  0.3125 0.9598000E-01  0.6250000 
1 1 1 28 16 13 o 8.4450  0.2988 0.5848000      0.5977000 
1 1 1 28 16 14 o 3.8600  0.6151 -0.4925000     1.230000  
1 1 1 28 16 15 o 11.600  0.2367 -0.2066000E-01 0.4733000 
1 1 1 28 16 16 o 5.8060  0.4619 0.6976000E-01  0.9238000 
1 1 1 28 16 17 o 8.5430  0.3302 -0.1890000     0.6604000 
1 1 1 28 16 18 o 1.7130  0.5632 0.3335000      1.126000  
1 1 1 28 16 19 o 10.050  0.3217 0.3618000      0.6435000 
1 1 1 28 16 20 o 5.3520  0.4396 0.1562000      0.8792000 
1 1 1 28 16 21 o 3.0060  0.6892 -0.1070000     1.378000  
1 1 1 28 16 22 o 2.5910  0.6768 -0.7200000     1.354000  
1 1 1 28 16 23 o 3.6260  0.6988 -0.2285000     1.398000  
1 1 1 28 16 24 o 2.8800  0.6861 -1.472000      1.372000  
1 1 1 28 16 25 o 2.4940  0.6449 0.9296000      1.290000  
1 1 1 28 16 26 o 1.9360  0.6373 -0.3850000     1.275000  
1 1 1 28 16 27 o 3.0760  0.7118 -0.9956000     1.424000  
1 1 1 28 16 28 f 5.2620  0.4152 1.101000       0.8303000 
1 1 1 28 16 29 o 2.1750  0.6003 0.2311000      1.201000  
1 1 1 28 16 30 o 3.5640  0.5543 -1.455000      1.109000  
1 1 1 28 16 31 o 2.1620  0.5955 0.6299000      1.191000  
1 1 1 28 16 32 o 2.0120  0.5706 0.8073000      1.141000  
1 1 1 28 16 33 o 2.3860  0.6268 -0.5033000     1.254000  
1 1 1 28 16 34 o 2.8280  0.6099 1.171000       1.220000  
1 1 1 28 16 35 o 3.8420  0.5511 -0.2246000     1.102000  
1 1 1 28 16 36 o 2.9470  0.6550 0.2257000E-01  1.310000  
1 1 1 28 16 37 o 3.8330  0.6047 1.399000       1.209000  
1 1 1 28 16 38 o 3.4900  0.6359 0.6221000      1.272000  
1 1 1 28 16 39 o 2.4060  0.5813 -1.949000      1.163000  
1 1 1 28 16 40 o 2.1690  0.5469 0.8589000      1.094000  
1 1 1 28 17 0  o 1.9960  1.1400 0.000000       0.000000  
1 1 1 28 17 1  o 5.0260  0.5331 -1.184000      1.066000  
1 1 1 28 17 2  o 3.5850  0.7264 0.9296000      1.453000  
1 1 1 28 17 3  o 3.8170  0.7393 -1.973000      1.479000  
1 1 1 28 17 4  o 4.6720  0.5387 1.490000       1.077000  
1 1 1 28 17 5  o 3.1800  0.6981 0.6136000      1.396000  
1 1 1 28 17 6  o 3.6660  0.6279 -0.1185000     1.256000  
1 1 1 28 17 7  o 1.8720  0.5876 0.2559000      1.175000  
1 1 1 28 17 8  o 3.6530  0.6208 0.6986000      1.242000  
1 1 1 28 17 9  o 5.7460  0.4149 0.7543000      0.8298000 
1 1 1 28 17 10 o 1.8310  0.5807 -0.5266000     1.161000  
1 1 1 28 17 11 o 9.0760  0.2826 0.8861000      0.5651000 
1 1 1 28 17 12 o 5.0680  0.4951 1.460000       0.9902000 
1 1 1 28 17 13 o 3.4540  0.6245 0.6938000      1.249000  
1 1 1 28 17 14 o 3.2200  0.6652 -1.031000      1.330000  
1 1 1 28 17 15 o 2.5770  0.6796 -0.4785000E-02 1.359000  
1 1 1 28 17 16 o 2.1490  0.6382 -0.4002000E-02 1.276000  
1 1 1 28 17 17 o 2.0310  0.6123 0.3983000      1.225000  
1 1 1 28 17 18 o 6.8320  0.3542 0.3990000      0.7083000 
1 1 1 28 17 19 o 2.2870  0.6254 1.180000       1.251000  
1 1 1 28 17 20 o 6.8020  0.3773 0.6245000      0.7547000 
1 1 1 28 17 21 o 7.1740  0.3620 0.9679000      0.7240000 
1 1 1 28 17 22 o 2.1770  0.6621 0.1241000      1.324000  
1 1 1 28 17 23 o 3.5630  0.7425 0.3765000      1.485000  
1 1 1 28 17 24 o 6.4210  0.4151 0.5054000      0.8302000 
1 1 1 28 17 25 o 3.9040  0.8042 -0.9832000     1.608000  
1 1 1 28 17 26 o 1.9970  0.5971 0.4337000      1.194000  
1 1 1 28 17 27 o 3.3570  0.5953 -0.5366000     1.191000  
1 1 1 28 17 28 o 3.2630  0.5877 0.1856000      1.175000  
1 1 1 28 17 29 o 2.1270  0.5955 -0.6309000     1.191000  
1 1 1 28 17 30 o 3.5510  0.5537 0.9984000      1.107000  
1 1 1 28 17 31 o 2.0700  0.5899 -0.3763000     1.180000  
1 1 1 28 17 32 o 1.6870  0.5450 -0.4924000E-01 1.090000  
1 1 1 28 17 33 o 3.4410  0.6153 0.8787000      1.231000  
1 1 1 28 17 34 o 7.2190  0.3715 1.054000       0.7429000 
1 1 1 28 17 35 o 3.3110  0.5861 1.677000       1.172000  
1 1 1 28 17 36 o 1.9270  0.5909 -1.208000      1.182000  
1 1 1 28 17 37 o 1.6420  0.5523 -0.4076000     1.105000  
1 1 1 28 17 38 o 2.6900  0.6671 0.2206000      1.334000  
1 1 1 28 18 0  o 3.1070  1.1540 0.000000       0.000000  
1 1 1 28 18 1  o 2.7590  0.9524 ?              ?         
1 1 1 28 18 2  o 1.6550  0.7733 ?              ?         
1 1 1 28 18 3  o 5.1330  0.5046 1.365000       1.009000  
1 1 1 28 18 4  o 5.0840  0.4737 -0.1407000     0.9473000 
1 1 1 28 18 5  o 1.9650  0.6072 0.8273000E-01  1.214000  
1 1 1 28 18 6  o 5.8780  0.3925 -0.7257000     0.7850000 
1 1 1 28 18 7  o 3.1370  0.6451 -0.9516000     1.290000  
1 1 1 28 18 8  o 2.8070  0.6355 -1.417000      1.271000  
1 1 1 28 18 9  o 6.6390  0.3713 1.152000       0.7426000 
1 1 1 28 18 10 o 9.7540  0.2634 0.6751000      0.5269000 
1 1 1 28 18 11 o 4.3290  0.5369 -0.8086000     1.074000  
1 1 1 28 18 12 o 2.5310  0.6543 0.4066000      1.309000  
1 1 1 28 18 13 o 4.9730  0.5069 -0.3650000     1.014000  
1 1 1 28 18 14 o 4.7020  0.5398 -0.5480000     1.080000  
1 1 1 28 18 15 o 2.9020  0.6570 -0.1348000     1.314000  
1 1 1 28 18 16 o 4.0620  0.6425 -0.8060000     1.285000  
1 1 1 28 18 17 o 6.5480  0.3549 0.1683000      0.7098000 
1 1 1 28 18 18 o 4.6740  0.4905 -1.821000      0.9810000 
1 1 1 28 18 19 o 2.1310  0.6347 0.3058000      1.269000  
1 1 1 28 18 20 o 4.0800  0.6050 -0.8053000     1.210000  
1 1 1 28 18 21 o 2.0670  0.6358 0.6332000      1.272000  
1 1 1 28 18 22 o 2.7800  1.0240 ?              ?         
1 1 1 28 18 23 o 4.0840  0.6456 1.659000       1.291000  
1 1 1 28 18 24 o 3.4540  0.6340 1.423000       1.268000  
1 1 1 28 18 25 o 8.9410  0.3520 -0.3889000     0.7041000 
1 1 1 28 18 26 o 2.7560  0.6686 0.3116000      1.337000  
1 1 1 28 18 27 o 7.7120  0.2854 0.1054000      0.5708000 
1 1 1 28 18 28 o 6.6110  0.3162 -0.7924000     0.6323000 
1 1 1 28 18 29 o 2.5990  0.5850 0.9836000      1.170000  
1 1 1 28 18 30 o 4.4880  0.4435 -0.2471000     0.8871000 
1 1 1 28 18 31 o 3.7570  0.5344 1.395000       1.069000  
1 1 1 28 18 32 o 4.4220  0.4978 0.7412000      0.9956000 
1 1 1 28 18 33 o 3.4550  0.6265 0.8829000      1.253000  
1 1 1 28 18 34 o 1.6020  0.5371 -0.4845000     1.074000  
1 1 1 28 18 35 o 4.7480  0.5347 0.7484000      1.069000  
1 1 1 28 18 36 o 4.6960  0.5422 0.8208000      1.084000  
1 1 1 28 18 37 o 1.5920  0.5530 -0.5587000     1.106000  
1 1 1 28 19 0  o 2.4940  1.4090 0.000000       0.000000  
1 1 1 28 19 1  o 7.7100  0.4551 ?              ?         
1 1 1 28 19 2  o 2.1890  0.6967 -0.2222000     1.393000  
1 1 1 28 19 3  o 3.9890  0.6552 0.2764000      1.310000  
1 1 1 28 19 4  o 3.7380  0.6112 -0.3313000     1.222000  
1 1 1 28 19 5  o 3.6820  0.5741 -2.484000      1.148000  
1 1 1 28 19 6  o 1.8080  0.5735 -0.4829000     1.147000  
1 1 1 28 19 7  o 6.4010  0.3653 -0.2179000     0.7305000 
1 1 1 28 19 8  o 3.3800  0.6290 0.8770000      1.258000  
1 1 1 28 19 9  f 4.4820  0.5241 -0.5606000     1.048000  
1 1 1 28 19 10 o 2.5040  0.6571 -0.6405000     1.314000  
1 1 1 28 19 11 o 2.7370  0.6468 -1.220000      1.294000  
1 1 1 28 19 12 o 4.0170  0.6884 -0.5927000     1.377000  
1 1 1 28 19 13 o 5.9450  0.4147 -0.1439000E-01 0.8294000 
1 1 1 28 19 14 o 1.9070  0.6170 -0.8331000     1.234000  
1 1 1 28 19 15 o 3.3460  0.5906 -2.189000      1.181000  
1 1 1 28 19 16 o 2.5690  0.5852 1.450000       1.170000  
1 1 1 28 19 17 o 2.3990  0.6459 -0.2607000     1.292000  
1 1 1 28 19 18 o 4.9610  0.4616 -0.8844000     0.9232000 
1 1 1 28 19 19 o 3.4430  0.6256 -1.100000      1.251000  
1 1 1 28 19 20 o 1.8880  0.6056 -0.4539000     1.211000  
1 1 1 28 19 21 o 2.7330  0.8119 0.8517000E-01  1.624000  
1 1 1 28 19 22 o 5.3890  0.5244 0.7165000      1.049000  
1 1 1 28 19 23 o 4.7900  0.6206 1.740000       1.241000  
1 1 1 28 19 24 o 6.0280  0.4440 1.898000       0.8879000 
1 1 1 28 19 25 o 2.4190  0.6740 -0.5341000     1.348000  
1 1 1 28 19 26 o 2.4290  0.6604 -0.7349000E-01 1.321000  
1 1 1 28 19 27 o 1.4860  0.4970 0.1354000E-01  0.9940000 
1 1 1 28 19 28 o 2.9610  0.6389 -0.7921000     1.278000  
1 1 1 28 19 29 o 4.9270  0.4337 -0.6409000     0.8673000 
1 1 1 28 19 30 o 2.1500  0.6077 -0.4187000E-01 1.215000  
1 1 1 28 19 31 o 1.7770  0.5578 0.1211000      1.116000  
1 1 1 28 19 32 o 2.8520  0.5592 1.568000       1.118000  
1 1 1 28 19 33 o 1.7310  0.5503 -0.5997000     1.101000  
1 1 1 28 19 34 o 5.3660  0.5664 1.092000       1.133000  
1 1 1 28 19 35 o 4.7450  0.6050 0.2439000      1.210000  
1 1 1 28 20 0  o 6.3190  0.9771 0.000000       0.000000  
1 1 1 28 20 1  o 2.7480  0.7275 0.7702000      1.455000  
1 1 1 28 20 2  o 2.0820  0.6353 0.3343000      1.271000  
1 1 1 28 20 3  f 5.1860  0.5431 0.6753000      1.086000  
1 1 1 28 20 4  o 2.2180  0.6403 -0.5046000E-01 1.281000  
1 1 1 28 20 5  o 1.7500  0.5594 0.9852000E-01  1.119000  
1 1 1 28 20 6  o 1.7000  0.5504 -0.2898000     1.101000  
1 1 1 28 20 7  o 3.5400  0.6140 -0.7324000E-01 1.228000  
1 1 1 28 20 8  o 3.7230  0.5908 -1.588000      1.182000  
1 1 1 28 20 9  o 4.5300  0.5067 -1.131000      1.013000  
1 1 1 28 20 10 o 4.5040  0.5612 -0.2668000     1.122000  
1 1 1 28 20 11 o 2.6670  0.6447 -1.412000      1.289000  
1 1 1 28 20 12 o 2.9120  0.6328 0.9110000      1.266000  
1 1 1 28 20 13 o 3.3260  0.6659 0.8267000      1.332000  
1 1 1 28 20 14 o 3.4900  0.5952 1.409000       1.190000  
1 1 1 28 20 15 o 2.4790  0.6368 0.5208000      1.274000  
1 1 1 28 20 16 o 9.4980  0.2590 -0.2207000     0.5180000 
1 1 1 28 20 17 o 2.6150  0.6544 0.3753000E-01  1.309000  
1 1 1 28 20 18 o 1.8480  0.5675 0.4708000      1.135000  
1 1 1 28 20 19 o 4.2520  0.5656 -0.2366000     1.131000  
1 1 1 28 20 20 o 5.8930  0.5116 -0.5666000     1.023000  
1 1 1 28 20 21 o 2.5760  0.7092 -0.1372000     1.418000  
1 1 1 28 20 22 f 2.6660  0.7008 -0.7393000     1.402000  
1 1 1 28 20 23 o 2.1370  0.6463 0.1398000      1.293000  
1 1 1 28 20 24 o 4.5630  0.5034 -0.7184000     1.007000  
1 1 1 28 20 25 o 5.3600  0.5669 0.9959000      1.134000  
1 1 1 28 20 26 o 2.5540  0.6621 0.2315000      1.324000  
1 1 1 28 20 27 o 4.3970  0.5080 1.365000       1.016000  
1 1 1 28 20 28 o 1.8200  0.5603 -0.6884000     1.121000  
1 1 1 28 20 29 o 1.6990  0.5392 -0.3831000     1.078000  
1 1 1 28 20 30 o 1.7720  0.5547 -0.1273000     1.109000  
1 1 1 28 20 31 o 2.5150  0.6167 -0.4672000     1.233000  
1 1 1 28 20 32 f 4.3440  0.4734 0.5252000      0.9469000 
1 1 1 28 20 33 o 2.4020  0.5671 1.169000       1.134000  
1 1 1 28 21 0  o 1.4750  0.9779 0.000000       0.000000  
1 1 1 28 21 1  o 2.6030  0.7359 1.645000       1.472000  
1 1 1 28 21 2  f 2.3890  0.6814 0.2125000      1.363000  
1 1 1 28 21 3  o 1.7010  0.5598 0.3687000      1.120000  
1 1 1 28 21 4  o 3.3010  0.6702 1.183000       1.340000  
1 1 1 28 21 5  o 2.3040  0.6466 0.3940000E-01  1.293000  
1 1 1 28 21 6  o 2.4900  0.6413 0.4799000      1.283000  
1 1 1 28 21 7  o 2.9220  0.6055 -1.748000      1.211000  
1 1 1 28 21 8  f 1.8440  0.5756 0.2152000      1.151000  
1 1 1 28 21 9  o 2.6510  0.7223 0.4480000      1.445000  
1 1 1 28 21 10 o 4.9380  0.4690 0.5025000E-01  0.9379000 
1 1 1 28 21 11 o 7.3830  0.3778 -0.4170000     0.7556000 
1 1 1 28 21 12 o 2.3900  0.5908 1.400000       1.182000  
1 1 1 28 21 13 o 2.8750  0.5747 -2.348000      1.149000  
1 1 1 28 21 14 o 4.8820  0.4757 0.3773000E-01  0.9514000 
1 1 1 28 21 15 o 3.4360  0.6349 -0.4971000     1.270000  
1 1 1 28 21 16 o 2.9890  0.6179 1.215000       1.236000  
1 1 1 28 21 17 o 3.2360  0.6415 -0.2082000     1.283000  
1 1 1 28 21 18 o 2.5200  0.6451 -1.127000      1.290000  
1 1 1 28 21 19 o 2.2370  0.6646 -0.4359000     1.329000  
1 1 1 28 21 20 o 7.7550  0.3600 1.187000       0.7201000 
1 1 1 28 21 21 o 3.9450  0.6772 -0.7499000     1.354000  
1 1 1 28 21 22 o 2.4060  0.7123 0.4925000      1.425000  
1 1 1 28 21 23 o 1.7240  0.5588 -0.1322000     1.118000  
1 1 1 28 21 24 o 2.5520  0.6165 0.7520000      1.233000  
1 1 1 28 21 25 o 3.2390  0.6638 -0.1124000     1.328000  
1 1 1 28 21 26 o 2.2280  0.6349 0.1754000      1.270000  
1 1 1 28 21 27 o 5.6570  0.4019 1.323000       0.8038000 
1 1 1 28 21 28 o 4.4720  0.4810 -0.6805000     0.9619000 
1 1 1 28 21 29 o 1.7940  0.5570 -0.7641000     1.114000  
1 1 1 28 21 30 o 3.2320  0.5906 -1.067000      1.181000  
1 1 1 28 22 0  o 5.5740  0.6338 0.000000       0.000000  
1 1 1 28 22 1  o 3.4080  0.7028 -0.1937000     1.406000  
1 1 1 28 22 2  o 2.7560  0.7634 0.5470000      1.527000  
1 1 1 28 22 3  o 2.6720  0.7046 -0.2805000     1.409000  
1 1 1 28 22 4  o 2.3840  0.6923 -0.2237000     1.385000  
1 1 1 28 22 5  o 3.8600  0.6707 -1.691000      1.341000  
1 1 1 28 22 6  o 2.6140  0.6435 -1.261000      1.287000  
1 1 1 28 22 7  o 4.7270  0.4927 -0.5329000     0.9855000 
1 1 1 28 22 8  o 2.4480  0.6690 1.797000       1.338000  
1 1 1 28 22 9  o 2.2330  0.6635 -1.152000      1.327000  
1 1 1 28 22 10 o 1.9250  0.5950 0.2039000      1.190000  
1 1 1 28 22 11 o 2.4620  0.6538 -0.4806000     1.308000  
1 1 1 28 22 12 o 4.0070  0.5772 0.8733000      1.154000  
1 1 1 28 22 13 o 3.1610  0.6437 -0.8823000     1.287000  
1 1 1 28 22 14 o 2.0790  0.6160 0.7799000E-01  1.232000  
1 1 1 28 22 15 f 5.4770  0.4512 1.483000       0.9024000 
1 1 1 28 22 16 o 2.3120  0.6400 -0.6885000     1.280000  
1 1 1 28 22 17 o 7.1510  0.3599 -2.034000      0.7198000 
1 1 1 28 22 18 o 2.1720  0.6561 -0.6290000     1.312000  
1 1 1 28 22 19 o 6.6610  0.4045 0.1493000      0.8089000 
1 1 1 28 22 20 o 7.1150  0.3599 -1.204000      0.7198000 
1 1 1 28 22 21 o 3.5350  0.6045 -1.508000      1.209000  
1 1 1 28 22 22 o 4.2550  0.5804 1.257000       1.161000  
1 1 1 28 22 23 o 2.6910  0.7278 1.369000       1.456000  
1 1 1 28 22 24 o 6.6160  0.3604 0.1971000      0.7209000 
1 1 1 28 22 25 o 3.2280  0.6255 -0.4755000     1.251000  
1 1 1 28 22 26 o 2.4790  0.6847 -0.4410000     1.369000  
1 1 1 28 22 27 o 2.8700  0.6851 0.2817000      1.370000  
1 1 1 28 22 28 o 2.6110  0.7462 -0.9968000     1.492000  
1 1 1 28 23 0  o 3.2010  1.1370 0.000000       0.000000  
1 1 1 28 23 1  o 2.9600  0.6751 0.7686000      1.350000  
1 1 1 28 23 2  o 2.6610  0.6891 -0.6916000     1.378000  
1 1 1 28 23 3  o 2.5540  0.7131 -0.5409000     1.426000  
1 1 1 28 23 4  o 2.4270  0.6950 0.5997000      1.390000  
1 1 1 28 23 5  o 3.0200  0.7264 0.3356000      1.453000  
1 1 1 28 23 6  o 2.3440  0.7243 -0.4964000     1.449000  
1 1 1 28 23 7  o 6.5560  0.3850 -0.6070000E-01 0.7700000 
1 1 1 28 23 8  o 2.9940  0.6490 1.338000       1.298000  
1 1 1 28 23 9  o 3.0590  0.6534 -0.8787000     1.307000  
1 1 1 28 23 10 o 3.4140  0.6295 -1.067000      1.259000  
1 1 1 28 23 11 o 2.6890  0.6593 -0.6064000     1.319000  
1 1 1 28 23 12 o 2.4430  0.6183 -1.488000      1.237000  
1 1 1 28 23 13 o 2.4020  0.6443 -0.9088000     1.289000  
1 1 1 28 23 14 o 7.5120  0.3269 1.008000       0.6539000 
1 1 1 28 23 15 o 4.6700  0.5047 -0.6469000     1.009000  
1 1 1 28 23 16 o 5.7660  0.4452 1.092000       0.8905000 
1 1 1 28 23 17 o 3.4930  0.7073 -0.2905000     1.415000  
1 1 1 28 23 18 o 1.8920  0.6151 -0.1617000     1.230000  
1 1 1 28 23 19 o 2.9510  0.6888 0.5706000E-01  1.378000  
1 1 1 28 23 20 o 2.7360  0.5951 1.475000       1.190000  
1 1 1 28 23 21 o 3.2960  0.6172 -0.9784000     1.234000  
1 1 1 28 23 22 o 2.1570  0.5669 -1.735000      1.134000  
1 1 1 28 23 23 o 2.2280  0.6731 -0.9256000E-01 1.346000  
1 1 1 28 23 24 o 1.6380  0.5641 0.4517000      1.128000  
1 1 1 28 24 0  o 5.7070  0.6325 0.000000       0.000000  
1 1 1 28 24 1  o 2.6340  0.6717 -0.8582000     1.343000  
1 1 1 28 24 2  o 2.6160  0.6697 -0.8889000     1.339000  
1 1 1 28 24 3  o 6.3980  0.4494 2.344000       0.8987000 
1 1 1 28 24 4  o 3.2880  0.7880 -0.2108000     1.576000  
1 1 1 28 24 5  o 1.8590  0.6039 1.168000       1.208000  
1 1 1 28 24 6  o 1.8800  0.6149 -0.9020000     1.230000  
1 1 1 28 24 7  o 2.4030  0.6582 0.9935000      1.316000  
1 1 1 28 24 8  o 3.8710  0.6866 -0.9604000E-01 1.373000  
1 1 1 28 24 9  o 2.8520  0.6882 -0.6715000E-01 1.376000  
1 1 1 28 24 10 o 2.6100  0.6085 -1.902000      1.217000  
1 1 1 28 24 11 o 1.9920  0.6108 -0.1479000     1.222000  
1 1 1 28 24 12 o 1.8500  0.5858 -0.3723000E-01 1.172000  
1 1 1 28 24 13 o 2.7790  0.6444 1.035000       1.289000  
1 1 1 28 24 14 o 3.1320  0.6660 0.4806000      1.332000  
1 1 1 28 24 15 o 2.0510  0.6344 0.3478000      1.269000  
1 1 1 28 24 16 o 3.4660  0.7159 -0.3169000     1.432000  
1 1 1 28 24 17 o 5.8060  0.4564 -1.460000      0.9128000 
1 1 1 28 24 18 o 5.1520  0.5163 -0.2398000     1.033000  
1 1 1 28 24 19 o 2.2120  0.6292 -0.1348000     1.258000  
1 1 1 28 24 20 f 2.6890  0.6343 0.8298000      1.269000  
1 1 1 28 24 21 o 1.7000  0.8589 ?              ?         
1 1 1 28 25 0  o 2.2080  1.1710 0.000000       0.000000  
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1 1 1 28 25 2  o 1.7400  0.5740 -0.2940000     1.148000  
1 1 1 28 25 3  o 3.0660  0.6852 -1.787000      1.370000  
1 1 1 28 25 4  o 3.2340  0.6969 -2.459000      1.394000  
1 1 1 28 25 5  o 5.1560  0.5921 -1.327000      1.184000  
1 1 1 28 25 6  o 2.3220  0.6911 0.9850000      1.382000  
1 1 1 28 25 7  o 2.2010  0.6951 -0.3242000     1.390000  
1 1 1 28 25 8  o 2.5110  0.7213 -0.6211000     1.443000  
1 1 1 28 25 9  o 1.8910  0.5964 0.6061000      1.193000  
1 1 1 28 25 10 o 4.0030  0.6354 0.2031000      1.271000  
1 1 1 28 25 11 o 3.4390  0.6530 0.7871000      1.306000  
1 1 1 28 25 12 o 2.9920  0.6756 0.5139000      1.351000  
1 1 1 28 25 13 o 2.3000  0.6452 -1.080000      1.290000  
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1 1 1 28 25 15 o 3.6200  0.6950 -0.8832000     1.390000  
1 1 1 28 25 16 o 2.5670  0.6616 1.346000       1.323000  
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1 1 1 28 26 4  o 2.9040  0.6548 1.718000       1.310000  
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1 1 1 29 0  5  o 7.1850  0.5977 0.000000       0.000000  
1 1 1 29 0  6  o 8.5340  0.5005 0.000000       0.000000  
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1 1 1 29 0  11 o 5.8780  0.7265 0.000000       0.000000  
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1 1 1 29 1  0  f 7.5270  0.5052 0.000000       0.000000  
1 1 1 29 1  1  o 7.4390  0.3852 1.261000       0.7704000 
1 1 1 29 1  2  o 10.560  0.2875 0.6132000      0.5751000 
1 1 1 29 1  3  o 10.290  0.2952 -0.5169000     0.5904000 
1 1 1 29 1  4  o 2.4660  0.7108 -0.5031000     1.422000  
1 1 1 29 1  5  o 4.2560  0.6823 -0.9231000     1.365000  
1 1 1 29 1  6  o 2.0920  0.6587 0.2529000      1.317000  
1 1 1 29 1  7  o 7.7970  0.5581 1.463000       1.116000  
1 1 1 29 1  8  o 8.0400  0.4209 1.196000       0.8418000 
1 1 1 29 1  9  o 3.4830  0.7859 -1.444000      1.572000  
1 1 1 29 1  10 o 5.3550  0.6199 -0.3534000     1.240000  
1 1 1 29 1  11 o 2.7710  0.7330 -0.2260000     1.466000  
1 1 1 29 1  12 o 3.3450  0.7568 -1.334000      1.514000  
1 1 1 29 1  13 f 5.4270  0.5214 -0.4993000     1.043000  
1 1 1 29 1  14 o 3.7060  0.7089 0.2346000E-01  1.418000  
1 1 1 29 1  15 f 3.6600  0.6168 -2.795000      1.234000  
1 1 1 29 1  16 o 6.5060  0.4257 -0.2147000     0.8515000 
1 1 1 29 1  17 o 4.7810  0.5840 -0.5808000     1.168000  
1 1 1 29 1  18 o 7.6730  0.3662 0.3039000      0.7324000 
1 1 1 29 1  19 o 4.7950  0.6007 -2.416000      1.201000  
1 1 1 29 1  20 o 3.1290  0.7250 -0.4880000E-01 1.450000  
1 1 1 29 1  21 o 2.4640  0.6864 -0.7410000     1.373000  
1 1 1 29 1  22 o 6.3670  0.4315 1.132000       0.8631000 
1 1 1 29 1  23 o 3.7510  0.6860 -0.6047000     1.372000  
1 1 1 29 1  24 o 5.3970  0.5078 -0.2079000     1.016000  
1 1 1 29 1  25 o 7.0800  0.4035 1.364000       0.8070000 
1 1 1 29 1  26 o 6.8780  0.5173 1.410000       1.035000  
1 1 1 29 1  27 o 3.1370  0.8019 -0.4843000     1.604000  
1 1 1 29 1  28 o 6.4540  0.5470 0.6021000      1.094000  
1 1 1 29 1  29 o 2.2820  0.6736 -0.5552000     1.347000  
1 1 1 29 1  30 o 2.6210  0.7038 -1.781000      1.408000  
1 1 1 29 1  31 o 6.8210  0.4921 -0.9861000     0.9842000 
1 1 1 29 1  32 o 2.7710  0.7273 -0.9948000     1.455000  
1 1 1 29 1  33 o 4.7730  0.6191 -0.4514000     1.238000  
1 1 1 29 1  34 o 6.3550  0.4696 0.6416000      0.9391000 
1 1 1 29 1  35 o 7.2960  0.4170 0.4245000      0.8341000 
1 1 1 29 1  36 o 2.1920  0.6749 -0.2954000     1.350000  
1 1 1 29 1  37 o 7.4690  0.4079 0.9051000      0.8158000 
1 1 1 29 1  38 o 3.5310  0.6984 -2.313000      1.397000  
1 1 1 29 1  39 o 3.1900  0.7043 -1.215000      1.409000  
1 1 1 29 1  40 f 2.3260  0.6913 0.8986000E-01  1.383000  
1 1 1 29 1  41 o 2.4010  0.7045 0.5875000      1.409000  
1 1 1 29 1  42 o 3.4820  0.7297 -0.7702000     1.459000  
1 1 1 29 1  43 o 3.5430  0.7240 1.815000       1.448000  
1 1 1 29 1  44 o 2.0040  0.6487 0.4113000      1.297000  
1 1 1 29 1  45 o 2.7960  0.6865 -1.169000      1.373000  
1 1 1 29 1  46 o 1.8640  0.6032 -0.1098000     1.206000  
1 1 1 29 1  47 o 1.8880  0.5922 -1.070000      1.184000  
1 1 1 29 1  48 o 3.2870  0.6564 -1.927000      1.313000  
1 1 1 29 2  0  o 8.9640  0.4940 0.000000       0.000000  
1 1 1 29 2  1  o 8.5170  0.3434 1.017000       0.6868000 
1 1 1 29 2  2  o 9.9820  0.2974 -0.9119000     0.5948000 
1 1 1 29 2  3  o 6.3750  0.4970 -0.2317000     0.9939000 
1 1 1 29 2  4  o 7.3680  0.3770 1.160000       0.7540000 
1 1 1 29 2  5  f 3.5790  0.7449 -0.2198000     1.490000  
1 1 1 29 2  6  f 10.950  0.3255 -0.6757000     0.6510000 
1 1 1 29 2  7  o 3.3290  0.7987 -1.039000      1.597000  
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1 1 1 29 2  9  o 6.1250  0.5221 -0.8913000E-01 1.044000  
1 1 1 29 2  10 o 2.7210  0.7054 1.372000       1.411000  
1 1 1 29 2  11 o 9.1490  0.3614 0.9480000E-01  0.7229000 
1 1 1 29 2  12 o 4.0680  0.7960 0.1156000      1.592000  
1 1 1 29 2  13 o 2.9400  0.7506 0.7509000      1.501000  
1 1 1 29 2  14 o 4.7690  0.6648 0.6917000      1.330000  
1 1 1 29 2  15 o 3.9260  0.6941 -0.6290000     1.388000  
1 1 1 29 2  16 o 11.060  0.2815 0.3000000      0.5630000 
1 1 1 29 2  17 o 4.1500  0.6662 -0.1357000     1.332000  
1 1 1 29 2  18 o 9.3050  0.3182 0.1824000      0.6365000 
1 1 1 29 2  19 o 9.5520  0.3122 0.2011000      0.6245000 
1 1 1 29 2  20 o 5.3320  0.5432 -1.700000      1.086000  
1 1 1 29 2  21 o 3.5300  0.7100 0.4427000      1.420000  
1 1 1 29 2  22 o 2.3330  0.6835 0.3783000E-01  1.367000  
1 1 1 29 2  23 o 6.9130  0.4006 0.5208000      0.8011000 
1 1 1 29 2  24 o 3.6340  0.7002 -0.5058000     1.400000  
1 1 1 29 2  25 o 7.1040  0.3992 -0.7739000     0.7984000 
1 1 1 29 2  26 o 7.4330  0.4306 0.5549000      0.8613000 
1 1 1 29 2  27 o 3.8880  0.7922 -0.5368000     1.584000  
1 1 1 29 2  28 o 8.6220  0.3823 0.2289000      0.7647000 
1 1 1 29 2  29 o 3.3530  0.7035 -1.097000      1.407000  
1 1 1 29 2  30 o 10.540  0.4101 -0.1600000     0.8202000 
1 1 1 29 2  31 o 3.3380  0.7749 1.560000       1.550000  
1 1 1 29 2  32 o 2.8920  0.7893 0.8641000E-01  1.579000  
1 1 1 29 2  33 o 8.6400  0.3641 0.7295000      0.7283000 
1 1 1 29 2  34 o 5.4730  0.5644 1.211000       1.129000  
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1 1 1 29 2  37 o 2.4210  0.7042 -1.136000      1.408000  
1 1 1 29 2  38 o 5.5110  0.4826 0.1803000      0.9651000 
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1 1 1 29 2  40 o 2.4560  0.6585 0.1784000      1.317000  
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1 1 1 29 3  7  o 5.0410  0.6046 2.205000       1.209000  
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1 1 1 29 3  16 o 2.5500  0.6794 1.358000       1.359000  
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1 1 1 29 3  18 o 10.820  0.3153 0.6216000      0.6305000 
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1 1 1 29 3  24 o 4.4190  0.6255 1.960000       1.251000  
1 1 1 29 3  25 o 6.3730  0.5170 1.278000       1.034000  
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1 1 1 29 3  27 o 4.3260  0.7264 1.366000       1.453000  
1 1 1 29 3  28 o 3.0180  0.7738 0.8172000      1.548000  
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1 1 1 29 3  36 o 5.4980  0.6171 -1.818000      1.234000  
1 1 1 29 3  37 o 3.1360  0.7427 0.2770000      1.485000  
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1 1 1 29 3  40 o 2.6070  0.6996 0.1040000      1.399000  
1 1 1 29 3  41 o 5.2300  0.4622 -0.8919000     0.9244000 
1 1 1 29 3  42 f 5.2380  0.4772 0.3158000      0.9544000 
1 1 1 29 3  43 o 2.4740  0.6437 0.7615000      1.287000  
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1 1 1 29 3  47 o 4.0760  0.6410 0.2368000      1.282000  
1 1 1 29 3  48 o 3.1890  0.7046 -1.082000      1.409000  
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1 1 1 29 4  3  o 3.8850  0.7307 1.384000       1.461000  
1 1 1 29 4  4  o 5.4640  0.5969 2.346000       1.194000  
1 1 1 29 4  5  o 3.6360  0.7250 0.2673000      1.450000  
1 1 1 29 4  6  o 8.0590  0.3464 -0.3569000     0.6928000 
1 1 1 29 4  7  o 2.9240  0.7177 0.2428000      1.435000  
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1 1 1 29 4  9  o 8.4410  0.3272 -0.1762000     0.6545000 
1 1 1 29 4  10 o 4.9110  0.5390 0.5047000      1.078000  
1 1 1 29 4  11 o 3.7360  0.6332 1.974000       1.266000  
1 1 1 29 4  12 o 4.7260  0.5678 2.037000       1.136000  
1 1 1 29 4  13 o 7.6960  0.3464 1.045000       0.6929000 
1 1 1 29 4  14 o 10.030  0.3086 1.416000       0.6171000 
1 1 1 29 4  15 o 9.6680  0.3532 -0.3440000     0.7064000 
1 1 1 29 4  16 o 4.7060  0.7840 -1.260000      1.568000  
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1 1 1 29 4  18 o 3.7500  0.7393 0.4936000      1.479000  
1 1 1 29 4  19 o 10.320  0.3283 0.8556000      0.6565000 
1 1 1 29 4  20 o 5.4690  0.5998 1.776000       1.200000  
1 1 1 29 4  21 o 7.2930  0.4538 1.973000       0.9076000 
1 1 1 29 4  22 o 2.6740  0.6842 1.268000       1.368000  
1 1 1 29 4  23 o 3.1600  0.7409 -1.411000      1.482000  
1 1 1 29 4  24 o 4.4360  0.6952 -0.4403000     1.390000  
1 1 1 29 4  25 o 4.9880  0.7610 1.619000       1.522000  
1 1 1 29 4  26 o 4.5570  0.8227 1.305000       1.645000  
1 1 1 29 4  27 o 3.5710  0.8079 1.496000       1.616000  
1 1 1 29 4  28 o 2.8790  0.7599 0.9267000      1.520000  
1 1 1 29 4  29 f 3.2500  0.7882 0.7056000E-01  1.576000  
1 1 1 29 4  30 o 4.0920  0.7663 -2.989000      1.533000  
1 1 1 29 4  31 o 2.4500  0.7308 0.7472000      1.462000  
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1 1 1 29 4  36 f 2.5720  0.7239 -0.8083000     1.448000  
1 1 1 29 4  37 o 4.2300  0.6342 0.3596000      1.268000  
1 1 1 29 4  38 o 5.6640  0.5614 1.248000       1.123000  
1 1 1 29 4  39 o 5.0670  0.5388 -0.5893000     1.078000  
1 1 1 29 4  40 o 6.0590  0.4427 -0.1239000     0.8855000 
1 1 1 29 4  41 o 2.9360  0.6408 -1.783000      1.282000  
1 1 1 29 4  42 o 4.2330  0.6104 -1.835000      1.221000  
1 1 1 29 4  43 o 2.4670  0.6289 1.055000       1.258000  
1 1 1 29 4  44 o 5.3430  0.4813 0.6953000      0.9626000 
1 1 1 29 4  45 o 3.4870  0.6595 -0.6552000     1.319000  
1 1 1 29 4  46 o 3.8580  0.6141 0.3709000      1.228000  
1 1 1 29 4  47 o 2.7850  0.7038 -0.2997000     1.408000  
1 1 1 29 4  48 o 2.7320  0.7047 -0.4441000     1.409000  
1 1 1 29 5  0  o 4.4070  1.2660 0.000000       0.000000  
1 1 1 29 5  1  o 3.5350  0.7833 -0.2000000     1.567000  
1 1 1 29 5  2  o 3.4590  0.8473 1.002000       1.695000  
1 1 1 29 5  3  o 5.0400  0.8360 -0.2162000     1.672000  
1 1 1 29 5  4  o 3.1820  0.7299 -0.8549000     1.460000  
1 1 1 29 5  5  o 11.200  0.2644 0.6845000      0.5288000 
1 1 1 29 5  6  o 4.9400  0.5485 -0.6612000     1.097000  
1 1 1 29 5  7  o 9.4400  0.2957 -0.7036000     0.5914000 
1 1 1 29 5  8  o 9.0850  0.3039 -0.6982000     0.6077000 
1 1 1 29 5  9  o 7.5900  0.3534 0.6807000      0.7067000 
1 1 1 29 5  10 o 7.3690  0.3594 0.6901000      0.7189000 
1 1 1 29 5  11 o 6.5040  0.4128 1.614000       0.8255000 
1 1 1 29 5  12 o 7.2190  0.3625 0.4332000      0.7250000 
1 1 1 29 5  13 o 5.1500  0.5104 -0.5582000     1.021000  
1 1 1 29 5  14 o 3.2830  0.6730 -1.570000      1.346000  
1 1 1 29 5  15 o 5.2010  0.4981 -0.3363000     0.9961000 
1 1 1 29 5  16 o 12.650  0.2847 -0.7311000E-01 0.5694000 
1 1 1 29 5  17 o 9.5810  0.3169 0.6466000      0.6338000 
1 1 1 29 5  18 o 5.9610  0.5290 -0.2165000     1.058000  
1 1 1 29 5  19 o 2.5840  0.6718 -1.546000      1.344000  
1 1 1 29 5  20 o 2.2300  0.6709 -0.2427000     1.342000  
1 1 1 29 5  21 o 8.0240  0.3549 0.1556000      0.7099000 
1 1 1 29 5  22 o 2.1200  0.6404 0.6559000      1.281000  
1 1 1 29 5  23 o 5.6920  0.4913 -0.8974000     0.9826000 
1 1 1 29 5  24 o 9.6950  0.4274 -0.4702000     0.8548000 
1 1 1 29 5  25 o 6.9860  0.5480 -2.303000      1.096000  
1 1 1 29 5  26 o 3.9800  0.8456 0.8338000      1.691000  
1 1 1 29 5  27 o 2.3870  0.7257 -0.2013000     1.451000  
1 1 1 29 5  28 o 2.4430  0.7605 0.1809000      1.521000  
1 1 1 29 5  29 o 4.3110  1.0010 ?              ?         
1 1 1 29 5  30 o 1.8620  0.6394 -0.7048000     1.279000  
1 1 1 29 5  31 o 5.7410  0.6324 -0.3247000     1.265000  
1 1 1 29 5  32 o 1.7440  0.5865 -0.3935000     1.173000  
1 1 1 29 5  33 f 3.3530  0.7471 1.451000       1.494000  
1 1 1 29 5  34 o 3.2520  0.7491 -0.3593000     1.498000  
1 1 1 29 5  35 o 5.1290  0.6129 1.023000       1.226000  
1 1 1 29 5  36 o 3.0030  0.6842 -1.573000      1.368000  
1 1 1 29 5  37 o 9.4600  0.3090 0.3114000      0.6180000 
1 1 1 29 5  38 o 9.3880  0.3134 0.6073000      0.6268000 
1 1 1 29 5  39 o 3.2490  0.6764 1.770000       1.353000  
1 1 1 29 5  40 o 4.5120  0.5980 0.4140000      1.196000  
1 1 1 29 5  41 f 1.9210  0.6125 -0.4099000     1.225000  
1 1 1 29 5  42 o 1.9890  0.5828 0.8742000      1.166000  
1 1 1 29 5  43 o 3.0690  0.6725 -0.9532000     1.345000  
1 1 1 29 5  44 o 5.7250  0.4223 -0.7950000     0.8447000 
1 1 1 29 5  45 o 2.1530  0.6279 0.3120000      1.256000  
1 1 1 29 5  46 o 5.3420  0.4933 1.540000       0.9867000 
1 1 1 29 5  47 o 2.1840  0.6060 -1.710000      1.212000  
1 1 1 29 6  0  f 3.1480  1.2790 0.000000       0.000000  
1 1 1 29 6  1  o 3.0160  0.8364 0.5096000      1.673000  
1 1 1 29 6  2  o 2.5650  0.7924 -1.298000      1.585000  
1 1 1 29 6  3  o 9.2750  0.5236 2.067000       1.047000  
1 1 1 29 6  4  o 10.440  0.3320 -0.5586000E-01 0.6640000 
1 1 1 29 6  5  o 6.3620  0.4419 -0.7684000E-01 0.8837000 
1 1 1 29 6  6  o 3.5460  0.6750 -0.5916000     1.350000  
1 1 1 29 6  7  o 12.750  0.2354 -0.3258000     0.4709000 
1 1 1 29 6  8  o 4.5980  0.5718 0.1582000E-01  1.144000  
1 1 1 29 6  9  o 15.330  0.2140 0.1010000      0.4279000 
1 1 1 29 6  10 o 9.4840  0.2955 -0.1971000     0.5910000 
1 1 1 29 6  11 o 9.9540  0.2819 -0.1693000     0.5638000 
1 1 1 29 6  12 o 2.8550  0.7011 -0.1900000     1.402000  
1 1 1 29 6  13 o 1.9860  0.6195 0.2125000      1.239000  
1 1 1 29 6  14 o 5.6080  0.4584 0.6399000      0.9168000 
1 1 1 29 6  15 o 3.8210  0.6469 -0.3314000     1.294000  
1 1 1 29 6  16 o 3.7420  0.5998 -2.467000      1.200000  
1 1 1 29 6  17 o 6.6720  0.4186 0.2746000      0.8372000 
1 1 1 29 6  18 o 3.8480  0.7362 0.4089000      1.472000  
1 1 1 29 6  19 o 3.2000  0.6709 1.638000       1.342000  
1 1 1 29 6  20 o 4.8300  0.6583 1.881000       1.317000  
1 1 1 29 6  21 o 4.2750  0.7569 -0.9425000     1.514000  
1 1 1 29 6  22 o 5.0590  0.6112 -0.1651000     1.222000  
1 1 1 29 6  23 o 4.7070  0.7714 -0.2245000     1.543000  
1 1 1 29 6  24 o 7.8550  0.5265 0.7104000      1.053000  
1 1 1 29 6  25 o 7.5720  0.5550 0.6468000      1.110000  
1 1 1 29 6  26 o 2.4040  1.0260 ?              ?         
1 1 1 29 6  27 o 3.3970  0.8363 -0.1496000     1.673000  
1 1 1 29 6  28 o 2.4140  0.7461 -0.1165000     1.492000  
1 1 1 29 6  29 o 2.4990  0.7283 0.8862000      1.457000  
1 1 1 29 6  30 o 3.2250  0.8214 -0.4086000     1.643000  
1 1 1 29 6  31 o 2.2850  0.7347 -0.9977000E-01 1.469000  
1 1 1 29 6  32 o 2.6650  0.7196 0.3091000      1.439000  
1 1 1 29 6  33 o 4.7970  0.6253 0.8914000      1.251000  
1 1 1 29 6  34 o 2.7400  0.7211 -1.269000      1.442000  
1 1 1 29 6  35 o 2.3330  0.6814 0.4960000      1.363000  
1 1 1 29 6  36 o 1.8950  0.6064 0.3356000      1.213000  
1 1 1 29 6  37 o 2.2870  0.6664 -0.7033000     1.333000  
1 1 1 29 6  38 o 2.7520  0.6437 -1.861000      1.287000  
1 1 1 29 6  39 o 2.4490  0.6730 -1.006000      1.346000  
1 1 1 29 6  40 o 7.7870  0.4075 0.7263000      0.8149000 
1 1 1 29 6  41 o 3.1520  0.7093 0.3408000      1.419000  
1 1 1 29 6  42 o 4.5510  0.5367 -2.307000      1.073000  
1 1 1 29 6  43 o 4.3850  0.5580 -0.1663000     1.116000  
1 1 1 29 6  44 o 2.5590  0.6673 0.2047000      1.335000  
1 1 1 29 6  45 o 2.4520  0.5922 1.438000       1.184000  
1 1 1 29 6  46 o 5.7750  0.4368 0.6170000      0.8736000 
1 1 1 29 6  47 o 2.3910  0.6648 -0.7819000     1.330000  
1 1 1 29 7  0  o 8.3520  0.6104 0.000000       0.000000  
1 1 1 29 7  1  o 6.6640  0.6105 ?              ?         
1 1 1 29 7  2  o 5.1780  0.7803 -0.9882000     1.561000  
1 1 1 29 7  3  o 11.000  0.4084 -0.8823000     0.8167000 
1 1 1 29 7  4  o 5.3290  0.5404 0.3913000      1.081000  
1 1 1 29 7  5  o 4.2240  0.6448 1.266000       1.290000  
1 1 1 29 7  6  o 7.2500  0.3852 0.7276000      0.7705000 
1 1 1 29 7  7  o 2.2860  0.6698 0.4617000      1.340000  
1 1 1 29 7  8  o 4.0640  0.6108 1.942000       1.222000  
1 1 1 29 7  9  o 4.1660  0.6072 1.087000       1.214000  
1 1 1 29 7  10 o 3.0370  0.6954 0.6598000      1.391000  
1 1 1 29 7  11 o 8.7740  0.3051 -0.8429000     0.6102000 
1 1 1 29 7  12 o 5.1230  0.5132 1.192000       1.026000  
1 1 1 29 7  13 o 6.4770  0.3967 0.5475000      0.7934000 
1 1 1 29 7  14 o 5.2800  0.4773 -0.1910000E-01 0.9547000 
1 1 1 29 7  15 o 12.330  0.2361 1.054000       0.4722000 
1 1 1 29 7  16 o 5.4540  0.4731 1.278000       0.9462000 
1 1 1 29 7  17 f 8.4550  0.3119 -0.1546000     0.6237000 
1 1 1 29 7  18 o 2.3820  0.6287 1.419000       1.257000  
1 1 1 29 7  19 o 4.0110  0.7403 1.647000       1.481000  
1 1 1 29 7  20 o 3.7900  0.7868 -0.6764000     1.574000  
1 1 1 29 7  21 o 2.5890  0.7382 0.5799000      1.476000  
1 1 1 29 7  22 o 3.5210  0.8488 -0.9215000     1.698000  
1 1 1 29 7  23 o 2.6890  0.7891 -1.022000      1.578000  
1 1 1 29 7  24 o 3.5110  0.6959 1.991000       1.392000  
1 1 1 29 7  25 o 2.0470  0.6529 -0.1942000     1.306000  
1 1 1 29 7  26 o 8.9460  0.4487 0.3901000      0.8974000 
1 1 1 29 7  27 o 3.7880  0.7883 -1.550000      1.577000  
1 1 1 29 7  28 o 1.9150  0.6300 0.1429000      1.260000  
1 1 1 29 7  29 o 5.5490  0.7213 0.2308000      1.443000  
1 1 1 29 7  30 o 3.1070  0.8556 -0.2810000     1.711000  
1 1 1 29 7  31 o 2.0210  0.8812 ?              ?         
1 1 1 29 7  32 o 6.2880  0.4899 0.7122000      0.9799000 
1 1 1 29 7  33 o 2.4740  0.6967 0.5396000      1.393000  
1 1 1 29 7  34 o 1.9810  0.6357 0.8540000E-01  1.271000  
1 1 1 29 7  35 o 4.0750  0.6526 -0.7461000E-01 1.305000  
1 1 1 29 7  36 o 5.3080  0.5203 0.4697000      1.041000  
1 1 1 29 7  37 o 2.6130  0.6983 0.4329000      1.397000  
1 1 1 29 7  38 o 1.9380  0.6191 -0.3272000     1.238000  
1 1 1 29 7  39 o 2.3820  0.6791 0.3156000      1.358000  
1 1 1 29 7  40 o 2.3530  0.6725 0.4963000      1.345000  
1 1 1 29 7  41 o 3.8540  0.7302 0.1935000      1.460000  
1 1 1 29 7  42 o 3.4700  0.6512 0.3685000      1.302000  
1 1 1 29 7  43 o 3.5940  0.6069 -2.548000      1.214000  
1 1 1 29 7  44 o 4.3540  0.5661 -0.8054000     1.132000  
1 1 1 29 7  45 o 4.6190  0.5345 -0.1128000     1.069000  
1 1 1 29 7  46 o 1.6940  0.5575 -0.2734000E-01 1.115000  
1 1 1 29 8  0  o 2.5660  1.2820 0.000000       0.000000  
1 1 1 29 8  1  o 6.8170  0.5229 2.046000       1.046000  
1 1 1 29 8  2  o 10.500  0.4072 ?              ?         
1 1 1 29 8  3  f 5.3870  0.7939 2.701000       1.588000  
1 1 1 29 8  4  o 3.4080  0.7683 0.2241000      1.537000  
1 1 1 29 8  5  f 5.2530  0.5231 -0.6359000     1.046000  
1 1 1 29 8  6  o 3.6370  0.6891 -0.9152000     1.378000  
1 1 1 29 8  7  o 6.2120  0.4365 -0.2412000     0.8730000 
1 1 1 29 8  8  o 5.0060  0.5358 -0.3605000     1.072000  
1 1 1 29 8  9  o 4.1730  0.6303 -1.446000      1.261000  
1 1 1 29 8  10 o 9.9060  0.2931 0.7172000      0.5861000 
1 1 1 29 8  11 o 4.8400  0.5338 -0.9108000     1.068000  
1 1 1 29 8  12 o 8.4120  0.3125 -0.4667000     0.6249000 
1 1 1 29 8  13 o 2.9660  0.6863 -0.5654000     1.373000  
1 1 1 29 8  14 o 2.8520  0.6790 0.8231000      1.358000  
1 1 1 29 8  15 o 2.4640  0.6678 -0.5075000     1.336000  
1 1 1 29 8  16 o 3.7600  0.6369 -0.8235000     1.274000  
1 1 1 29 8  17 f 2.7990  0.7034 0.3877000      1.407000  
1 1 1 29 8  18 o 4.0240  0.6460 -0.5465000     1.292000  
1 1 1 29 8  19 f 3.0160  0.7061 0.3859000      1.412000  
1 1 1 29 8  20 o 2.6770  0.7614 0.8387000E-01  1.523000  
1 1 1 29 8  21 o 6.7790  0.5844 -2.161000      1.169000  
1 1 1 29 8  22 o 9.5720  0.4492 0.9473000      0.8983000 
1 1 1 29 8  23 o 2.5590  0.9684 ?              ?         
1 1 1 29 8  24 o 3.5200  0.7379 0.5737000      1.476000  
1 1 1 29 8  25 o 9.1770  0.3733 -0.5111000     0.7465000 
1 1 1 29 8  26 o 3.8820  0.8227 1.199000       1.645000  
1 1 1 29 8  27 o 2.9330  0.8004 1.152000       1.601000  
1 1 1 29 8  28 o 3.1120  0.8157 -0.9519000     1.631000  
1 1 1 29 8  29 o 5.7930  0.6910 0.3736000      1.382000  
1 1 1 29 8  30 o 7.8650  0.5210 0.6103000E-02  1.042000  
1 1 1 29 8  31 o 6.4710  0.4711 0.2620000      0.9421000 
1 1 1 29 8  32 o 2.3400  0.6807 0.3984000      1.361000  
1 1 1 29 8  33 f 4.3850  0.6647 0.3889000      1.329000  
1 1 1 29 8  34 o 6.7620  0.4539 0.8051000E-01  0.9079000 
1 1 1 29 8  35 o 1.9360  0.6187 -0.3794000     1.237000  
1 1 1 29 8  36 o 3.2510  0.6760 1.661000       1.352000  
1 1 1 29 8  37 o 4.1380  0.7050 1.966000       1.410000  
1 1 1 29 8  38 o 4.9250  0.6351 1.209000       1.270000  
1 1 1 29 8  39 o 3.4880  0.7307 1.835000       1.461000  
1 1 1 29 8  40 o 3.0960  0.7569 -0.2613000     1.514000  
1 1 1 29 8  41 o 2.9580  0.7563 -0.4034000     1.513000  
1 1 1 29 8  42 o 2.8540  0.7339 -1.771000      1.468000  
1 1 1 29 8  43 o 2.1590  0.6212 0.8697000      1.242000  
1 1 1 29 8  44 f 4.0400  0.6353 -0.5157000     1.271000  
1 1 1 29 8  45 o 2.0470  0.6223 -0.1810000     1.245000  
1 1 1 29 8  46 o 2.3320  0.6498 -0.7175000     1.300000  
1 1 1 29 9  0  o 6.2480  0.8337 0.000000       0.000000  
1 1 1 29 9  1  o 13.930  0.2820 0.8026000      0.5640000 
1 1 1 29 9  2  o 3.9520  0.8514 0.6872000      1.703000  
1 1 1 29 9  3  o 2.3330  0.6936 0.8000000      1.387000  
1 1 1 29 9  4  o 2.6390  0.7280 0.8301000      1.456000  
1 1 1 29 9  5  o 2.4740  0.6974 -0.1977000     1.395000  
1 1 1 29 9  6  o 7.2600  0.3826 0.3491000      0.7653000 
1 1 1 29 9  7  o 2.7810  0.7134 -0.9603000E-01 1.427000  
1 1 1 29 9  8  o 2.8340  0.6866 -1.250000      1.373000  
1 1 1 29 9  9  o 7.7000  0.3825 0.1254000      0.7649000 
1 1 1 29 9  10 o 3.2430  0.7069 -0.5874000     1.414000  
1 1 1 29 9  11 o 4.1710  0.6353 0.9968000E-01  1.271000  
1 1 1 29 9  12 o 7.9020  0.3491 0.2829000      0.6981000 
1 1 1 29 9  13 o 9.7710  0.2709 1.104000       0.5418000 
1 1 1 29 9  14 o 1.9040  0.6001 0.9675000E-01  1.200000  
1 1 1 29 9  15 o 2.8440  0.7047 -0.5830000     1.409000  
1 1 1 29 9  16 o 9.1960  0.3005 -0.6167000     0.6011000 
1 1 1 29 9  17 o 5.3810  0.4945 0.5686000      0.9891000 
1 1 1 29 9  18 o 2.2110  0.6629 -0.2347000     1.326000  
1 1 1 29 9  19 o 2.9150  0.7189 0.6799000      1.438000  
1 1 1 29 9  20 o 5.8680  0.5213 1.229000       1.043000  
1 1 1 29 9  21 o 5.7060  0.5183 0.1758000      1.037000  
1 1 1 29 9  22 o 9.7300  0.4158 -0.8704000E-01 0.8316000 
1 1 1 29 9  23 o 5.7420  0.5840 -0.6913000     1.168000  
1 1 1 29 9  24 o 2.9140  0.8323 -0.4796000     1.665000  
1 1 1 29 9  25 o 5.2310  0.7193 -0.1169000     1.439000  
1 1 1 29 9  26 o 7.2860  0.5260 -0.4678000     1.052000  
1 1 1 29 9  27 o 6.0950  0.6774 1.918000       1.355000  
1 1 1 29 9  28 o 7.9820  0.5562 1.295000       1.112000  
1 1 1 29 9  29 o 2.9340  0.7839 0.3035000      1.568000  
1 1 1 29 9  30 o 2.9630  0.7050 -2.319000      1.410000  
1 1 1 29 9  31 o 2.2430  0.6818 -0.1217000     1.364000  
1 1 1 29 9  32 o 3.3170  0.7045 1.327000       1.409000  
1 1 1 29 9  33 o 4.6580  0.7259 -0.7948000E-01 1.452000  
1 1 1 29 9  34 o 5.1320  0.6755 0.5912000      1.351000  
1 1 1 29 9  35 o 8.4170  0.4345 1.644000       0.8690000 
1 1 1 29 9  36 o 7.2930  0.4902 1.220000       0.9805000 
1 1 1 29 9  37 o 3.6570  0.6771 -2.926000      1.354000  
1 1 1 29 9  38 o 1.9140  0.6380 0.2221000      1.276000  
1 1 1 29 9  39 o 5.1050  0.6819 1.620000       1.364000  
1 1 1 29 9  40 o 2.1290  0.6484 -0.6925000     1.297000  
1 1 1 29 9  41 o 4.1690  0.6459 -1.470000      1.292000  
1 1 1 29 9  42 o 2.3360  0.6690 0.6811000      1.338000  
1 1 1 29 9  43 o 2.4290  0.6572 0.1854000      1.314000  
1 1 1 29 9  44 f 2.3680  0.6595 0.3830000E-01  1.319000  
1 1 1 29 9  45 o 2.2040  0.6026 -1.623000      1.205000  
1 1 1 29 10 0  o 3.3870  1.3920 0.000000       0.000000  
1 1 1 29 10 1  o 1.9890  0.6414 0.2609000      1.283000  
1 1 1 29 10 2  o 4.7470  0.8290 1.238000       1.658000  
1 1 1 29 10 3  o 7.7140  0.4401 0.8489000      0.8802000 
1 1 1 29 10 4  o 2.4890  0.7152 -1.412000      1.430000  
1 1 1 29 10 5  o 4.8950  0.5961 -0.7459000     1.192000  
1 1 1 29 10 6  o 2.3390  0.6643 0.7324000      1.329000  
1 1 1 29 10 7  o 8.9810  0.3184 -0.4769000     0.6368000 
1 1 1 29 10 8  o 10.910  0.2739 0.1682000      0.5477000 
1 1 1 29 10 9  o 4.2020  0.6328 -0.2527000     1.266000  
1 1 1 29 10 10 o 9.7930  0.2898 0.3356000      0.5795000 
1 1 1 29 10 11 o 4.5760  0.5808 0.6062000      1.162000  
1 1 1 29 10 12 o 6.6540  0.3962 0.3886000      0.7925000 
1 1 1 29 10 13 f 1.8070  0.5858 -0.6711000E-02 1.172000  
1 1 1 29 10 14 o 2.4430  0.6952 -0.3328000E-01 1.390000  
1 1 1 29 10 15 o 1.7670  0.5854 -0.8448000E-01 1.171000  
1 1 1 29 10 16 o 2.7850  0.7239 -0.6987000     1.448000  
1 1 1 29 10 17 o 2.4020  0.6868 0.2717000      1.374000  
1 1 1 29 10 18 o 2.8480  0.7283 -0.2067000     1.457000  
1 1 1 29 10 19 o 4.3490  0.6507 0.8389000E-01  1.301000  
1 1 1 29 10 20 o 3.3160  0.7373 0.8849000E-01  1.475000  
1 1 1 29 10 21 o 8.9490  0.3127 0.6036000      0.6255000 
1 1 1 29 10 22 o 2.5520  0.6934 -0.8861000     1.387000  
1 1 1 29 10 23 o 6.6380  0.4817 -0.2641000     0.9635000 
1 1 1 29 10 24 o 2.4520  0.7478 0.4346000      1.496000  
1 1 1 29 10 25 o 2.0510  0.9499 ?              ?         
1 1 1 29 10 26 o 3.2850  0.8099 1.134000       1.620000  
1 1 1 29 10 27 o 7.0840  0.4488 0.2961000      0.8975000 
1 1 1 29 10 28 o 5.3980  0.7075 -1.362000      1.415000  
1 1 1 29 10 29 o 8.3630  0.5108 0.1134000      1.022000  
1 1 1 29 10 30 o 8.2840  0.4317 0.5063000      0.8633000 
1 1 1 29 10 31 o 6.3760  0.5419 0.4404000      1.084000  
1 1 1 29 10 32 o 3.6940  0.7540 1.655000       1.508000  
1 1 1 29 10 33 o 3.3410  0.7026 -2.692000      1.405000  
1 1 1 29 10 34 o 7.9890  0.3850 0.4039000      0.7700000 
1 1 1 29 10 35 o 3.5690  0.6681 0.1767000      1.336000  
1 1 1 29 10 36 o 2.5600  0.6045 -1.863000      1.209000  
1 1 1 29 10 37 f 6.1650  0.4054 0.5833000E-01  0.8108000 
1 1 1 29 10 38 o 2.7540  0.6846 -0.2885000E-01 1.369000  
1 1 1 29 10 39 o 3.2250  0.6633 1.145000       1.327000  
1 1 1 29 10 40 o 4.3110  0.5868 -0.2724000     1.174000  
1 1 1 29 10 41 o 2.3040  0.6608 -0.3405000     1.322000  
1 1 1 29 10 42 o 4.3140  0.5941 0.7135000      1.188000  
1 1 1 29 10 43 o 2.1320  0.6411 0.7773000E-02  1.282000  
1 1 1 29 10 44 o 2.3890  0.7042 0.2187000      1.408000  
1 1 1 29 11 0  o 1.3120  0.9171 0.000000       0.000000  
1 1 1 29 11 1  o 3.4190  0.7542 0.2060000      1.508000  
1 1 1 29 11 2  o 4.6480  0.8302 -1.491000      1.660000  
1 1 1 29 11 3  o 2.3890  0.6897 0.6742000      1.379000  
1 1 1 29 11 4  o 3.3420  0.6741 1.520000       1.348000  
1 1 1 29 11 5  o 6.9580  0.3916 0.2287000      0.7831000 
1 1 1 29 11 6  o 8.7010  0.3494 0.7588000      0.6988000 
1 1 1 29 11 7  o 2.2810  0.6828 -0.5833000     1.366000  
1 1 1 29 11 8  o 8.8620  0.3126 -0.4640000     0.6252000 
1 1 1 29 11 9  o 5.2890  0.5020 -0.1815000     1.004000  
1 1 1 29 11 10 o 8.9570  0.3113 0.8417000      0.6225000 
1 1 1 29 11 11 o 11.990  0.2480 0.1384000      0.4959000 
1 1 1 29 11 12 o 2.4990  0.7011 0.1560000      1.402000  
1 1 1 29 11 13 o 4.6390  0.6164 2.402000       1.233000  
1 1 1 29 11 14 o 2.4800  0.6993 -0.1570000     1.399000  
1 1 1 29 11 15 o 3.3380  0.6987 0.7094000      1.397000  
1 1 1 29 11 16 o 8.1210  0.3595 0.3162000      0.7190000 
1 1 1 29 11 17 o 2.7930  0.7261 -0.4610000     1.452000  
1 1 1 29 11 18 o 3.0750  0.7052 0.8102000      1.410000  
1 1 1 29 11 19 o 2.7690  0.6904 -0.8279000     1.381000  
1 1 1 29 11 20 o 2.6460  0.6958 -0.2952000     1.392000  
1 1 1 29 11 21 o 4.8240  0.5720 -0.1545000     1.144000  
1 1 1 29 11 22 o 4.0550  0.6454 -1.723000      1.291000  
1 1 1 29 11 23 o 5.4440  0.5047 0.1785000      1.009000  
1 1 1 29 11 24 o 4.0040  1.1200 ?              ?         
1 1 1 29 11 25 o 2.9840  1.1240 ?              ?         
1 1 1 29 11 26 o 2.3680  0.7147 -0.4599000     1.429000  
1 1 1 29 11 27 o 6.0630  0.6919 0.3912000      1.384000  
1 1 1 29 11 28 o 4.4700  0.7313 0.8392000      1.463000  
1 1 1 29 11 29 o 2.6290  0.7311 0.5930000      1.462000  
1 1 1 29 11 30 o 2.7420  0.6896 -1.464000      1.379000  
1 1 1 29 11 31 o 2.8600  0.7369 1.540000       1.474000  
1 1 1 29 11 32 o 3.5970  0.6348 -1.632000      1.270000  
1 1 1 29 11 33 o 3.7990  0.6248 0.9521000      1.250000  
1 1 1 29 11 34 o 4.3190  0.5610 0.3141000      1.122000  
1 1 1 29 11 35 o 2.3020  0.6536 -0.6701000E-01 1.307000  
1 1 1 29 11 36 f 3.5790  0.6493 0.3520000      1.299000  
1 1 1 29 11 37 o 3.6360  0.6404 -0.8930000     1.281000  
1 1 1 29 11 38 o 3.5650  0.6534 -0.4748000     1.307000  
1 1 1 29 11 39 o 2.3210  0.6587 -0.4860000     1.317000  
1 1 1 29 11 40 o 2.5510  0.6830 0.2362000      1.366000  
1 1 1 29 11 41 o 6.2620  0.4094 0.5501000      0.8189000 
1 1 1 29 11 42 o 2.8850  0.6938 -0.5468000     1.388000  
1 1 1 29 11 43 o 1.7700  0.5543 0.4440000      1.109000  
1 1 1 29 12 0  o 1.6250  1.0730 0.000000       0.000000  
1 1 1 29 12 1  o 3.1280  0.7715 -0.6488000     1.543000  
1 1 1 29 12 2  o 5.1320  0.7982 -0.1387000     1.596000  
1 1 1 29 12 3  o 1.9420  0.6374 -0.5335000     1.275000  
1 1 1 29 12 4  o 7.4680  0.3686 0.4502000      0.7372000 
1 1 1 29 12 5  o 4.7650  0.5705 -1.672000      1.141000  
1 1 1 29 12 6  o 3.1420  0.7104 -0.1535000     1.421000  
1 1 1 29 12 7  o 7.7290  0.3507 0.2091000      0.7014000 
1 1 1 29 12 8  o 3.7760  0.7100 -0.5654000     1.420000  
1 1 1 29 12 9  o 12.870  0.2406 0.6899000      0.4811000 
1 1 1 29 12 10 o 5.2120  0.5569 0.3418000      1.114000  
1 1 1 29 12 11 o 5.0780  0.5860 1.130000       1.172000  
1 1 1 29 12 12 o 9.7620  0.3123 -0.1471000     0.6246000 
1 1 1 29 12 13 o 4.4870  0.6209 -0.6210000     1.242000  
1 1 1 29 12 14 o 2.3040  0.6528 0.7419000      1.306000  
1 1 1 29 12 15 o 2.8090  0.7120 -0.9455000     1.424000  
1 1 1 29 12 16 o 6.8840  0.4082 -0.5097000     0.8163000 
1 1 1 29 12 17 o 6.5010  0.4331 -0.7492000     0.8663000 
1 1 1 29 12 18 o 5.5290  0.4935 -0.2168000     0.9871000 
1 1 1 29 12 19 o 9.4940  0.3076 0.4339000      0.6152000 
1 1 1 29 12 20 o 3.3590  0.6533 -1.826000      1.307000  
1 1 1 29 12 21 o 2.8520  0.6871 -0.2330000     1.374000  
1 1 1 29 12 22 o 4.4800  0.7215 0.2421000      1.443000  
1 1 1 29 12 23 o 5.2040  0.4686 -0.1588000     0.9371000 
1 1 1 29 12 24 o 4.6610  0.6020 0.4173000E-02  1.204000  
1 1 1 29 12 25 o 2.3000  0.6769 -0.2106000     1.354000  
1 1 1 29 12 26 o 4.6550  0.7911 -1.986000      1.582000  
1 1 1 29 12 27 o 6.3930  0.7489 -1.420000      1.498000  
1 1 1 29 12 28 o 2.8560  0.7832 -0.4600000     1.566000  
1 1 1 29 12 29 o 2.2250  0.6927 -0.7642000     1.385000  
1 1 1 29 12 30 o 2.2050  0.6545 -0.4471000     1.309000  
1 1 1 29 12 31 o 1.7730  0.5753 -0.9016000     1.151000  
1 1 1 29 12 32 o 6.1200  0.4320 -0.9691000     0.8640000 
1 1 1 29 12 33 o 1.9140  0.5996 0.1860000      1.199000  
1 1 1 29 12 34 o 2.0610  0.6163 0.5740000      1.233000  
1 1 1 29 12 35 o 3.5680  0.6242 -2.685000      1.248000  
1 1 1 29 12 36 o 2.3660  0.6065 1.603000       1.213000  
1 1 1 29 12 37 o 2.3350  0.6491 0.5976000      1.298000  
1 1 1 29 12 38 o 6.8620  0.3698 -0.9804000     0.7395000 
1 1 1 29 12 39 o 5.1110  0.4949 -0.7229000E-01 0.9898000 
1 1 1 29 12 40 o 4.3010  0.5825 -0.9761000     1.165000  
1 1 1 29 12 41 o 2.2880  0.6748 -0.5124000     1.350000  
1 1 1 29 12 42 o 6.7400  0.4226 1.112000       0.8451000 
1 1 1 29 13 0  o 1.9480  1.1290 0.000000       0.000000  
1 1 1 29 13 1  o 6.5580  0.6735 -0.3084000     1.347000  
1 1 1 29 13 2  o 3.2380  0.8744 -1.697000      1.749000  
1 1 1 29 13 3  o 3.2330  0.7535 0.4020000      1.507000  
1 1 1 29 13 4  o 3.7100  0.6811 -0.2392000     1.362000  
1 1 1 29 13 5  o 4.6380  0.5919 2.650000       1.184000  
1 1 1 29 13 6  o 6.9900  0.3898 1.385000       0.7795000 
1 1 1 29 13 7  o 2.6730  0.6816 -0.5653000E-01 1.363000  
1 1 1 29 13 8  o 3.1910  0.6176 -2.135000      1.235000  
1 1 1 29 13 9  o 3.5890  0.6413 1.347000       1.283000  
1 1 1 29 13 10 o 9.0020  0.2964 0.5450000      0.5927000 
1 1 1 29 13 11 o 3.0660  0.6934 -0.8822000E-01 1.387000  
1 1 1 29 13 12 o 2.5660  0.6689 -0.8631000     1.338000  
1 1 1 29 13 13 o 4.0990  0.6053 -1.456000      1.211000  
1 1 1 29 13 14 o 5.0080  0.5300 -2.044000      1.060000  
1 1 1 29 13 15 o 3.9850  0.6492 -1.297000      1.298000  
1 1 1 29 13 16 o 3.6950  0.6834 0.7280000      1.367000  
1 1 1 29 13 17 o 5.9540  0.4541 0.5151000      0.9083000 
1 1 1 29 13 18 o 5.1490  0.5372 1.760000       1.074000  
1 1 1 29 13 19 f 2.5070  0.6800 0.9104000      1.360000  
1 1 1 29 13 20 f 2.7010  0.6968 -0.8383000     1.394000  
1 1 1 29 13 21 o 2.1230  0.6613 -0.4938000E-01 1.323000  
1 1 1 29 13 22 o 4.7700  0.6297 3.643000       1.259000  
1 1 1 29 13 23 o 4.3960  0.6033 3.371000       1.207000  
1 1 1 29 13 24 o 1.9430  0.6152 0.2321000      1.230000  
1 1 1 29 13 25 o 2.2190  0.6241 1.186000       1.248000  
1 1 1 29 13 26 o 2.3810  0.7005 -0.9331000     1.401000  
1 1 1 29 13 27 o 2.4590  0.7358 -0.4615000     1.472000  
1 1 1 29 13 28 o 6.3000  0.4954 1.339000       0.9908000 
1 1 1 29 13 29 o 2.4740  0.6622 -1.468000      1.324000  
1 1 1 29 13 30 o 4.5190  0.5890 0.8691000      1.178000  
1 1 1 29 13 31 o 3.6620  0.6680 -0.3906000     1.336000  
1 1 1 29 13 32 o 3.6670  0.6084 1.774000       1.217000  
1 1 1 29 13 33 o 3.5540  0.6710 0.6998000      1.342000  
1 1 1 29 13 34 o 6.0450  0.4104 0.3281000      0.8208000 
1 1 1 29 13 35 f 3.5500  0.6265 1.172000       1.253000  
1 1 1 29 13 36 o 2.1470  0.6284 0.4512000      1.257000  
1 1 1 29 13 37 o 2.3210  0.6452 0.5837000      1.290000  
1 1 1 29 13 38 o 2.5080  0.6706 0.2402000      1.341000  
1 1 1 29 13 39 o 2.5970  0.6762 0.3435000      1.352000  
1 1 1 29 13 40 o 5.4370  0.5163 1.032000       1.033000  
1 1 1 29 13 41 o 2.0620  0.6256 0.3272000      1.251000  
1 1 1 29 14 0  o 2.9120  1.1290 0.000000       0.000000  
1 1 1 29 14 1  o 2.3270  0.6807 0.2546000      1.361000  
1 1 1 29 14 2  o 3.8380  0.8746 -1.507000      1.749000  
1 1 1 29 14 3  o 6.8560  0.4042 1.560000       0.8084000 
1 1 1 29 14 4  o 10.270  0.2452 -0.5024000     0.4905000 
1 1 1 29 14 5  o 2.0410  0.6109 0.1698000      1.222000  
1 1 1 29 14 6  o 7.4380  0.3092 0.3433000E-03  0.6185000 
1 1 1 29 14 7  o 3.2310  0.6457 0.6949000      1.291000  
1 1 1 29 14 8  o 1.8770  0.5716 0.7745000      1.143000  
1 1 1 29 14 9  f 5.6250  0.4150 -0.7289000E-01 0.8301000 
1 1 1 29 14 10 o 2.4400  0.6505 0.2633000      1.301000  
1 1 1 29 14 11 o 3.1970  0.6522 0.4383000      1.304000  
1 1 1 29 14 12 o 5.3000  0.4576 -0.7470000     0.9153000 
1 1 1 29 14 13 o 6.2420  0.3909 -0.2574000     0.7819000 
1 1 1 29 14 14 o 2.1410  0.6354 -0.1150000     1.271000  
1 1 1 29 14 15 o 3.2200  0.6442 1.284000       1.288000  
1 1 1 29 14 16 o 5.1890  0.4750 0.3406000      0.9499000 
1 1 1 29 14 17 o 8.2690  0.3360 0.9139000      0.6721000 
1 1 1 29 14 18 o 3.0210  0.6675 -0.2272000     1.335000  
1 1 1 29 14 19 o 9.4750  0.3345 0.4304000      0.6689000 
1 1 1 29 14 20 o 2.8480  0.6933 0.2766000      1.387000  
1 1 1 29 14 21 o 2.7770  0.7303 -0.5918000     1.461000  
1 1 1 29 14 22 o 1.6370  0.5457 -0.6902000     1.091000  
1 1 1 29 14 23 o 6.1490  0.4071 -0.7342000     0.8141000 
1 1 1 29 14 24 o 8.3740  0.3383 0.8629000E-01  0.6767000 
1 1 1 29 14 25 o 1.8120  0.6147 -0.3588000     1.229000  
1 1 1 29 14 26 o 2.5240  0.6421 1.241000       1.284000  
1 1 1 29 14 27 o 2.2570  0.6385 0.4574000      1.277000  
1 1 1 29 14 28 o 3.2920  0.6243 0.9600000      1.249000  
1 1 1 29 14 29 o 2.0450  0.6063 -1.211000      1.213000  
1 1 1 29 14 30 o 4.9360  0.4656 0.9962000      0.9312000 
1 1 1 29 14 31 o 2.3470  0.6238 -1.159000      1.248000  
1 1 1 29 14 32 o 3.0040  0.6170 1.111000       1.234000  
1 1 1 29 14 33 o 3.1820  0.5836 1.492000       1.167000  
1 1 1 29 14 34 o 2.2800  0.6014 -1.584000      1.203000  
1 1 1 29 14 35 o 3.7540  0.6170 0.6146000      1.234000  
1 1 1 29 14 36 o 4.4500  0.5345 -0.9068000     1.069000  
1 1 1 29 14 37 o 6.9230  0.3325 0.4183000      0.6650000 
1 1 1 29 14 38 o 3.1240  0.6389 -2.019000      1.278000  
1 1 1 29 14 39 o 2.2570  0.6424 -0.3604000     1.285000  
1 1 1 29 14 40 o 4.9670  0.5261 -0.2184000     1.052000  
1 1 1 29 15 0  o 0.9769  0.6986 0.000000       0.000000  
1 1 1 29 15 1  o 3.2170  0.8388 -0.3413000     1.678000  
1 1 1 29 15 2  o 10.090  0.4529 -0.8372000     0.9059000 
1 1 1 29 15 3  o 2.5890  0.6830 0.2810000      1.366000  
1 1 1 29 15 4  f 2.4100  0.6287 -1.018000      1.257000  
1 1 1 29 15 5  o 7.3180  0.3351 0.1117000      0.6702000 
1 1 1 29 15 6  o 4.7260  0.5259 0.2960000      1.052000  
1 1 1 29 15 7  o 2.7680  0.6297 1.562000       1.259000  
1 1 1 29 15 8  o 3.8640  0.6156 0.8696000E-01  1.231000  
1 1 1 29 15 9  o 4.2720  0.5780 -1.285000      1.156000  
1 1 1 29 15 10 o 9.0500  0.2880 0.4387000      0.5759000 
1 1 1 29 15 11 o 2.1360  0.6327 -0.3902000     1.265000  
1 1 1 29 15 12 o 2.2490  0.6170 -1.316000      1.234000  
1 1 1 29 15 13 o 4.3610  0.5546 0.4935000      1.109000  
1 1 1 29 15 14 o 4.2090  0.5602 0.8633000      1.120000  
1 1 1 29 15 15 o 4.1580  0.5969 1.695000       1.194000  
1 1 1 29 15 16 o 4.1280  0.5608 -0.4634000     1.122000  
1 1 1 29 15 17 o 2.2120  0.6138 1.344000       1.228000  
1 1 1 29 15 18 o 4.1150  0.5959 2.369000       1.192000  
1 1 1 29 15 19 o 6.5310  0.4205 -0.8423000     0.8410000 
1 1 1 29 15 20 o 6.7080  0.3979 1.485000       0.7958000 
1 1 1 29 15 21 o 6.9860  0.4038 0.6610000      0.8075000 
1 1 1 29 15 22 o 2.7970  0.6542 -1.493000      1.308000  
1 1 1 29 15 23 o 3.9740  0.6620 0.4127000      1.324000  
1 1 1 29 15 24 o 6.2600  0.5493 -0.2878000     1.099000  
1 1 1 29 15 25 o 2.4420  0.6895 0.3363000      1.379000  
1 1 1 29 15 26 o 2.3320  0.6679 -0.3492000     1.336000  
1 1 1 29 15 27 o 6.0880  0.3825 0.4163000      0.7650000 
1 1 1 29 15 28 o 4.8250  0.4840 -2.226000      0.9680000 
1 1 1 29 15 29 o 2.6540  0.6400 -0.7315000     1.280000  
1 1 1 29 15 30 o 2.4040  0.6080 0.7031000      1.216000  
1 1 1 29 15 31 o 2.7560  0.6415 -0.7224000     1.283000  
1 1 1 29 15 32 o 4.0140  0.5509 0.4861000      1.102000  
1 1 1 29 15 33 o 2.9730  0.5811 1.338000       1.162000  
1 1 1 29 15 34 o 1.7980  0.5549 0.3780000      1.110000  
1 1 1 29 15 35 o 5.7550  0.3932 0.3457000      0.7863000 
1 1 1 29 15 36 o 5.1720  0.4950 0.4806000      0.9900000 
1 1 1 29 15 37 o 3.5260  0.5442 2.630000       1.088000  
1 1 1 29 15 38 o 5.1280  0.4486 0.4946000      0.8971000 
1 1 1 29 15 39 o 3.4350  0.6083 2.357000       1.217000  
1 1 1 29 16 0  o 4.2330  1.1670 0.000000       0.000000  
1 1 1 29 16 1  o 3.6920  0.7207 1.552000       1.441000  
1 1 1 29 16 2  o 1.8590  0.6370 -0.6551000     1.274000  
1 1 1 29 16 3  o 7.3600  0.3862 -0.6881000     0.7725000 
1 1 1 29 16 4  o 3.3350  0.5781 2.736000       1.156000  
1 1 1 29 16 5  o 6.1180  0.4003 -0.9177000     0.8007000 
1 1 1 29 16 6  o 4.8210  0.5045 -0.6913000E-01 1.009000  
1 1 1 29 16 7  o 7.7490  0.3257 -0.1044000     0.6515000 
1 1 1 29 16 8  o 9.4710  0.2775 -0.6143000     0.5551000 
1 1 1 29 16 9  o 4.2220  0.5555 0.2440000      1.111000  
1 1 1 29 16 10 o 3.2020  0.5659 2.206000       1.132000  
1 1 1 29 16 11 o 4.8310  0.4799 -0.4347000     0.9598000 
1 1 1 29 16 12 o 4.1690  0.5557 0.1900000      1.111000  
1 1 1 29 16 13 o 3.7610  0.6065 0.1864000E-01  1.213000  
1 1 1 29 16 14 o 2.2410  0.6295 1.014000       1.259000  
1 1 1 29 16 15 o 2.0870  0.6166 -0.6341000     1.233000  
1 1 1 29 16 16 o 4.2810  0.5854 0.4797000      1.171000  
1 1 1 29 16 17 o 2.5200  0.6108 1.138000       1.222000  
1 1 1 29 16 18 o 2.9750  0.6924 0.4172000      1.385000  
1 1 1 29 16 19 o 5.4260  0.4258 -1.314000      0.8516000 
1 1 1 29 16 20 o 3.5620  0.6713 -0.4665000     1.343000  
1 1 1 29 16 21 o 2.4990  0.9793 ?              ?         
1 1 1 29 16 22 o 2.7470  0.6354 1.455000       1.271000  
1 1 1 29 16 23 o 1.9530  0.6161 -0.9624000     1.232000  
1 1 1 29 16 24 o 2.3080  0.6611 0.6563000      1.322000  
1 1 1 29 16 25 o 2.7270  0.7138 -0.7337000     1.428000  
1 1 1 29 16 26 o 3.3180  0.6599 0.8551000      1.320000  
1 1 1 29 16 27 o 3.2900  0.6310 0.1063000E-01  1.262000  
1 1 1 29 16 28 o 3.7290  0.6165 -1.394000      1.233000  
1 1 1 29 16 29 o 1.8510  0.5896 -0.4933000     1.179000  
1 1 1 29 16 30 o 2.5510  0.5749 1.560000       1.150000  
1 1 1 29 16 31 o 7.4690  0.3297 -0.6558000     0.6593000 
1 1 1 29 16 32 o 5.0960  0.5164 1.050000       1.033000  
1 1 1 29 16 33 o 5.6360  0.4070 0.9812000      0.8140000 
1 1 1 29 16 34 o 2.3380  0.5973 1.070000       1.195000  
1 1 1 29 16 35 o 2.5240  0.7000 -0.5555000     1.400000  
1 1 1 29 16 36 o 4.7330  0.5396 0.2346000      1.079000  
1 1 1 29 16 37 f 1.8990  0.5980 -0.3663000     1.196000  
1 1 1 29 17 0  o 3.2630  1.3900 0.000000       0.000000  
1 1 1 29 17 1  o 3.3070  0.7286 -1.209000      1.457000  
1 1 1 29 17 2  o 5.0860  0.5886 2.376000       1.177000  
1 1 1 29 17 3  o 5.4920  0.4989 0.2386000      0.9979000 
1 1 1 29 17 4  o 2.4500  0.6883 -0.6386000     1.377000  
1 1 1 29 17 5  o 8.7120  0.2820 0.4080000      0.5640000 
1 1 1 29 17 6  o 3.5760  0.5826 2.114000       1.165000  
1 1 1 29 17 7  o 2.2860  0.6085 -1.472000      1.217000  
1 1 1 29 17 8  o 5.0960  0.4909 1.598000       0.9819000 
1 1 1 29 17 9  o 5.3020  0.4749 1.702000       0.9499000 
1 1 1 29 17 10 o 3.7490  0.6042 1.125000       1.208000  
1 1 1 29 17 11 o 2.4300  0.6559 -0.1500000     1.312000  
1 1 1 29 17 12 o 3.8460  0.5987 0.6026000      1.197000  
1 1 1 29 17 13 o 3.8320  0.6434 -0.3053000     1.287000  
1 1 1 29 17 14 o 6.8710  0.3747 0.3671000      0.7495000 
1 1 1 29 17 15 o 4.6770  0.5382 2.077000       1.076000  
1 1 1 29 17 16 o 5.1060  0.5268 -0.3282000     1.054000  
1 1 1 29 17 17 o 3.5620  0.5856 1.676000       1.171000  
1 1 1 29 17 18 o 2.8160  0.6766 0.2866000      1.353000  
1 1 1 29 17 19 o 2.1480  0.6251 -0.8158000     1.250000  
1 1 1 29 17 20 o 6.0430  0.4737 0.1642000      0.9474000 
1 1 1 29 17 21 o 3.5980  0.7440 -1.129000      1.488000  
1 1 1 29 17 22 o 3.1480  0.6387 1.347000       1.277000  
1 1 1 29 17 23 o 3.6470  0.6595 -1.835000      1.319000  
1 1 1 29 17 24 o 3.4290  0.7284 -0.4020000     1.457000  
1 1 1 29 17 25 o 3.4730  0.6819 0.1686000      1.364000  
1 1 1 29 17 26 o 3.7400  0.6126 0.1777000      1.225000  
1 1 1 29 17 27 o 2.8140  0.5752 1.643000       1.150000  
1 1 1 29 17 28 o 3.7840  0.6116 1.335000       1.223000  
1 1 1 29 17 29 o 1.6830  0.5553 -0.4694000     1.111000  
1 1 1 29 17 30 o 3.6830  0.5496 0.7750000      1.099000  
1 1 1 29 17 31 o 3.3400  0.5776 -0.3562000     1.155000  
1 1 1 29 17 32 o 2.4020  0.6399 0.1811000      1.280000  
1 1 1 29 17 33 o 3.8670  0.6132 0.2576000      1.226000  
1 1 1 29 17 34 o 2.5070  0.6656 -1.212000      1.331000  
1 1 1 29 17 35 o 2.6960  0.6942 -0.4885000     1.388000  
1 1 1 29 17 36 o 4.2610  0.6525 0.6867000      1.305000  
1 1 1 29 18 0  o 3.2370  1.3380 0.000000       0.000000  
1 1 1 29 18 1  o 2.3040  0.6837 0.8678000      1.367000  
1 1 1 29 18 2  o 3.3810  0.6425 -0.2134000     1.285000  
1 1 1 29 18 3  o 8.6580  0.3283 0.6477000      0.6566000 
1 1 1 29 18 4  o 3.1340  0.6651 -2.097000      1.330000  
1 1 1 29 18 5  o 6.5210  0.3932 -0.7386000     0.7864000 
1 1 1 29 18 6  o 1.8000  0.5738 -0.5155000     1.148000  
1 1 1 29 18 7  o 6.9260  0.3424 -0.3598000     0.6849000 
1 1 1 29 18 8  f 3.1790  0.6560 0.3708000      1.312000  
1 1 1 29 18 9  o 8.1160  0.3007 -0.3382000     0.6014000 
1 1 1 29 18 10 o 3.2640  0.6310 1.050000       1.262000  
1 1 1 29 18 11 o 6.0420  0.4288 0.9417000      0.8576000 
1 1 1 29 18 12 o 3.0530  0.6670 -0.7541000     1.334000  
1 1 1 29 18 13 o 4.2090  0.5927 -1.093000      1.185000  
1 1 1 29 18 14 o 3.3280  0.7019 -1.194000      1.404000  
1 1 1 29 18 15 o 4.4610  0.5398 0.1914000      1.080000  
1 1 1 29 18 16 o 3.1820  0.6425 0.6713000      1.285000  
1 1 1 29 18 17 o 2.1730  0.6278 0.9113000E-01  1.256000  
1 1 1 29 18 18 o 3.5040  0.6332 -0.1715000     1.266000  
1 1 1 29 18 19 o 4.4210  0.5630 -0.3836000     1.126000  
1 1 1 29 18 20 o 4.9220  0.5440 1.424000       1.088000  
1 1 1 29 18 21 o 3.9370  0.7055 0.3473000      1.411000  
1 1 1 29 18 22 o 3.0640  0.6990 1.254000       1.398000  
1 1 1 29 18 23 o 5.6080  0.5189 1.200000       1.038000  
1 1 1 29 18 24 o 5.7370  0.4747 1.262000       0.9493000 
1 1 1 29 18 25 o 6.7810  0.3777 -0.5309000     0.7555000 
1 1 1 29 18 26 o 2.7760  0.6244 -1.114000      1.249000  
1 1 1 29 18 27 o 2.3170  0.6525 -0.4779000E-01 1.305000  
1 1 1 29 18 28 f 6.0550  0.4418 1.372000       0.8837000 
1 1 1 29 18 29 o 2.0800  0.6254 -0.5903000     1.251000  
1 1 1 29 18 30 o 2.4700  0.5840 1.014000       1.168000  
1 1 1 29 18 31 o 4.3620  0.4816 0.4537000      0.9632000 
1 1 1 29 18 32 o 2.4090  0.5601 1.369000       1.120000  
1 1 1 29 18 33 o 4.9820  0.6357 2.173000       1.271000  
1 1 1 29 18 34 o 5.0760  0.5889 0.1404000      1.178000  
1 1 1 29 19 0  o 5.7410  0.7639 0.000000       0.000000  
1 1 1 29 19 1  f 3.7650  0.7652 0.3897000      1.530000  
1 1 1 29 19 2  f 2.0390  0.6146 -0.8321000     1.229000  
1 1 1 29 19 3  o 3.7700  0.5796 2.307000       1.159000  
1 1 1 29 19 4  o 5.4840  0.5454 2.137000       1.091000  
1 1 1 29 19 5  o 2.9510  0.7106 -0.4904000     1.421000  
1 1 1 29 19 6  o 3.2690  0.5630 2.425000       1.126000  
1 1 1 29 19 7  o 1.8300  0.5637 -1.249000      1.127000  
1 1 1 29 19 8  o 1.5710  0.5253 0.8314000E-02  1.051000  
1 1 1 29 19 9  o 5.7190  0.4148 -1.315000      0.8297000 
1 1 1 29 19 10 o 7.3270  0.3581 0.7020000E-01  0.7161000 
1 1 1 29 19 11 o 1.9610  0.5945 -1.086000      1.189000  
1 1 1 29 19 12 o 1.8950  0.5880 0.1825000      1.176000  
1 1 1 29 19 13 o 4.5440  0.6104 0.1153000      1.221000  
1 1 1 29 19 14 o 5.3100  0.4381 -0.1353000     0.8762000 
1 1 1 29 19 15 o 1.7800  0.5698 -0.6499000     1.140000  
1 1 1 29 19 16 o 6.2630  0.4008 0.2735000      0.8015000 
1 1 1 29 19 17 o 2.3760  0.6505 0.5199000E-01  1.301000  
1 1 1 29 19 18 o 4.8660  0.5047 -0.1045000     1.009000  
1 1 1 29 19 19 o 1.9930  0.6122 0.2831000      1.224000  
1 1 1 29 19 20 o 2.9100  0.6560 0.9181000      1.312000  
1 1 1 29 19 21 o 2.6470  0.7195 -0.7022000     1.439000  
1 1 1 29 19 22 o 2.7720  0.7276 -0.4005000     1.455000  
1 1 1 29 19 23 o 2.5530  0.6590 -0.9545000     1.318000  
1 1 1 29 19 24 o 6.4590  0.4037 0.3123000      0.8075000 
1 1 1 29 19 25 o 2.1180  0.6408 -0.2919000     1.282000  
1 1 1 29 19 26 o 1.5070  0.5094 -0.1197000     1.019000  
1 1 1 29 19 27 o 2.4330  0.7014 -0.9351000     1.403000  
1 1 1 29 19 28 o 2.7760  0.6591 0.8217000      1.318000  
1 1 1 29 19 29 o 2.8170  0.7050 -0.8683000E-01 1.410000  
1 1 1 29 19 30 o 1.9580  0.5901 -0.1697000E-01 1.180000  
1 1 1 29 19 31 o 2.5320  0.6205 0.3881000      1.241000  
1 1 1 29 19 32 o 3.3850  0.6265 -0.7011000     1.253000  
1 1 1 29 20 0  o 5.7440  0.6143 0.000000       0.000000  
1 1 1 29 20 1  o 4.1670  0.6415 1.347000       1.283000  
1 1 1 29 20 2  o 2.6990  0.7290 -0.4435000     1.458000  
1 1 1 29 20 3  o 2.4920  0.6687 -0.5803000     1.337000  
1 1 1 29 20 4  o 5.8060  0.4637 0.2596000      0.9273000 
1 1 1 29 20 5  o 2.8260  0.5843 2.034000       1.169000  
1 1 1 29 20 6  o 2.3680  0.6475 0.3630000      1.295000  
1 1 1 29 20 7  o 6.0070  0.3869 0.1219000      0.7738000 
1 1 1 29 20 8  f 4.5750  0.5157 -0.9781000     1.031000  
1 1 1 29 20 9  o 4.1500  0.6769 -1.282000      1.354000  
1 1 1 29 20 10 o 5.6190  0.4282 0.3569000      0.8564000 
1 1 1 29 20 11 o 1.9540  0.6215 -0.3381000     1.243000  
1 1 1 29 20 12 o 3.9930  0.5842 0.6392000      1.168000  
1 1 1 29 20 13 o 2.3360  0.6356 0.3809000      1.271000  
1 1 1 29 20 14 o 6.2240  0.3750 -0.7452000     0.7500000 
1 1 1 29 20 15 o 2.2280  0.6336 0.2229000      1.267000  
1 1 1 29 20 16 o 3.8840  0.5943 0.4064000      1.189000  
1 1 1 29 20 17 f 2.1440  0.6370 0.1783000      1.274000  
1 1 1 29 20 18 o 3.0320  0.6753 -1.073000      1.351000  
1 1 1 29 20 19 o 2.4420  0.6762 -1.002000      1.352000  
1 1 1 29 20 20 o 3.4710  0.6696 1.369000       1.339000  
1 1 1 29 20 21 o 4.0430  0.6214 -0.3278000E-01 1.243000  
1 1 1 29 20 22 o 3.5210  0.6633 0.8128000      1.327000  
1 1 1 29 20 23 o 2.7010  0.6990 -0.1427000     1.398000  
1 1 1 29 20 24 o 6.1650  0.3970 -0.8102000     0.7941000 
1 1 1 29 20 25 o 3.0300  0.6749 -0.3753000     1.350000  
1 1 1 29 20 26 o 6.4470  0.3525 0.8045000      0.7051000 
1 1 1 29 20 27 o 4.6900  0.5892 2.737000       1.178000  
1 1 1 29 20 28 o 2.6230  0.6827 -0.5192000     1.365000  
1 1 1 29 20 29 o 1.4010  0.4854 -0.2122000     0.9708000 
1 1 1 29 21 0  o 7.9090  0.4694 0.000000       0.000000  
1 1 1 29 21 1  o 7.0900  0.4568 2.118000       0.9136000 
1 1 1 29 21 2  o 6.3710  0.4414 0.9567000      0.8827000 
1 1 1 29 21 3  o 2.5680  0.7435 1.725000       1.487000  
1 1 1 29 21 4  o 2.1150  0.6553 0.7389000      1.311000  
1 1 1 29 21 5  o 2.9930  0.6588 1.216000       1.318000  
1 1 1 29 21 6  o 2.6290  0.6584 0.9518000      1.317000  
1 1 1 29 21 7  o 2.0380  0.6294 0.1461000      1.259000  
1 1 1 29 21 8  o 2.3710  0.6650 -0.4577000     1.330000  
1 1 1 29 21 9  o 3.5940  0.5905 2.187000       1.181000  
1 1 1 29 21 10 o 7.2760  0.3896 -0.7572000     0.7793000 
1 1 1 29 21 11 o 1.6870  0.5530 -0.6914000E-01 1.106000  
1 1 1 29 21 12 o 2.9870  0.5954 -2.217000      1.191000  
1 1 1 29 21 13 o 3.8660  0.5998 -0.7970000     1.200000  
1 1 1 29 21 14 o 2.2020  0.6350 -0.5762000     1.270000  
1 1 1 29 21 15 o 3.8810  0.5973 0.4599000      1.195000  
1 1 1 29 21 16 o 3.1330  0.6826 -0.5092000E-01 1.365000  
1 1 1 29 21 17 f 2.9560  0.7201 0.2086000      1.440000  
1 1 1 29 21 18 o 6.5330  0.4701 ?              ?         
1 1 1 29 21 19 o 3.0860  0.6823 0.6011000      1.365000  
1 1 1 29 21 20 o 2.9360  0.6484 1.103000       1.297000  
1 1 1 29 21 21 o 2.7250  0.6318 0.9645000      1.264000  
1 1 1 29 21 22 o 2.3560  0.6460 -0.8368000     1.292000  
1 1 1 29 21 23 o 2.1840  0.6292 0.9244000      1.258000  
1 1 1 29 21 24 o 2.6250  0.7219 1.290000       1.444000  
1 1 1 29 21 25 o 3.9520  0.5939 -1.619000      1.188000  
1 1 1 29 21 26 o 2.0280  0.6053 -0.5102000     1.211000  
1 1 1 29 21 27 o 3.1770  0.8551 -0.5760000     1.710000  
1 1 1 29 22 0  o 3.0630  1.1680 0.000000       0.000000  
1 1 1 29 22 1  o 4.0700  0.6103 0.5660000      1.221000  
1 1 1 29 22 2  o 5.6860  0.4478 -0.4951000     0.8955000 
1 1 1 29 22 3  f 6.3630  0.4573 -0.4171000     0.9147000 
1 1 1 29 22 4  o 3.1570  0.7576 -0.6814000     1.515000  
1 1 1 29 22 5  o 5.6880  0.5368 -1.676000      1.074000  
1 1 1 29 22 6  o 4.6860  0.6932 -0.1431000     1.386000  
1 1 1 29 22 7  o 2.6730  0.7011 -1.251000      1.402000  
1 1 1 29 22 8  o 3.5120  0.5526 3.007000       1.105000  
1 1 1 29 22 9  o 1.8250  0.5812 -0.3271000     1.162000  
1 1 1 29 22 10 o 6.6100  0.3616 0.4005000      0.7232000 
1 1 1 29 22 11 o 4.1440  0.5702 0.4424000      1.140000  
1 1 1 29 22 12 o 2.4130  0.6547 -0.4323000     1.309000  
1 1 1 29 22 13 f 1.7210  0.5581 0.1284000      1.116000  
1 1 1 29 22 14 o 2.2570  0.6445 -0.5520000     1.289000  
1 1 1 29 22 15 o 4.9570  0.5203 -1.669000      1.041000  
1 1 1 29 22 16 o 4.3030  0.6419 0.4329000      1.284000  
1 1 1 29 22 17 o 2.5890  0.6496 0.9638000      1.299000  
1 1 1 29 22 18 o 2.5700  0.6879 -0.1127000     1.376000  
1 1 1 29 22 19 o 2.0770  0.6184 0.4066000      1.237000  
1 1 1 29 22 20 o 4.8560  0.4802 -0.4102000     0.9604000 
1 1 1 29 22 21 o 2.2860  0.6424 0.4452000E-01  1.285000  
1 1 1 29 22 22 o 3.9700  0.5553 -0.2506000     1.111000  
1 1 1 29 22 23 o 2.1610  0.6382 0.5433000      1.276000  
1 1 1 29 23 0  o 1.4810  0.9595 0.000000       0.000000  
1 1 1 29 23 1  o 3.8120  0.6331 1.285000       1.266000  
1 1 1 29 23 2  o 2.0150  0.6209 -0.2364000     1.242000  
1 1 1 29 23 3  o 3.2770  0.6866 0.2118000      1.373000  
1 1 1 29 23 4  o 2.7600  0.7325 0.6499000      1.465000  
1 1 1 29 23 5  o 2.4880  0.7487 0.3552000      1.497000  
1 1 1 29 23 6  o 3.3390  0.7815 -0.1149000     1.563000  
1 1 1 29 23 7  o 1.9050  0.8289 ?              ?         
1 1 1 29 23 8  o 2.9150  0.6783 -2.187000      1.357000  
1 1 1 29 23 9  o 1.9880  0.5952 0.6401000      1.190000  
1 1 1 29 23 10 o 2.7210  0.6334 1.151000       1.267000  
1 1 1 29 23 11 o 3.4980  0.6440 0.1089000      1.288000  
1 1 1 29 23 12 o 3.3800  0.6541 0.3064000      1.308000  
1 1 1 29 23 13 f 2.1020  0.6275 0.4218000E-01  1.255000  
1 1 1 29 23 14 o 3.3550  0.6081 2.331000       1.216000  
1 1 1 29 23 15 o 4.7940  0.6138 1.319000       1.228000  
1 1 1 29 23 16 o 2.4470  0.6451 1.026000       1.290000  
1 1 1 29 23 17 o 6.7420  0.4257 0.9373000      0.8513000 
1 1 1 29 23 18 o 3.0980  0.6907 -1.443000      1.381000  
1 1 1 29 23 19 o 1.7600  0.5690 -0.2691000E-01 1.138000  
1 1 1 29 23 20 o 2.2220  0.6404 -0.3769000E-01 1.281000  
1 1 1 29 24 0  o 1.2960  0.8797 0.000000       0.000000  
1 1 1 29 24 1  o 2.6280  0.6666 1.175000       1.333000  
1 1 1 29 24 2  o 2.7650  0.6396 -1.798000      1.279000  
1 1 1 29 24 3  o 2.5680  0.6776 -1.371000      1.355000  
1 1 1 29 24 4  o 2.0450  0.6541 -0.6470000     1.308000  
1 1 1 29 24 5  o 2.5750  0.7176 1.104000       1.435000  
1 1 1 29 24 6  o 4.4180  0.7805 -0.7994000     1.561000  
1 1 1 29 24 7  o 2.7880  0.6651 -1.752000      1.330000  
1 1 1 29 24 8  o 2.8520  0.7296 -1.312000      1.459000  
1 1 1 29 24 9  o 2.0920  0.6551 -0.2322000     1.310000  
1 1 1 29 24 10 o 1.7270  0.5632 0.1143000      1.126000  
1 1 1 29 24 11 o 2.2730  0.6540 0.4336000E-01  1.308000  
1 1 1 29 24 12 o 2.8270  0.6378 -1.797000      1.276000  
1 1 1 29 24 13 o 2.8620  0.7056 -0.5797000     1.411000  
1 1 1 29 24 14 o 3.4880  0.7295 -0.4965000     1.459000  
1 1 1 29 24 15 o 4.2760  0.6450 1.148000       1.290000  
1 1 1 29 25 0  o 0.9901  0.7130 0.000000       0.000000  
1 1 1 29 25 1  o 2.6500  0.7176 1.199000       1.435000  
1 1 1 29 25 2  o 2.9540  0.7546 0.6488000      1.509000  
1 1 1 29 25 3  o 2.0580  0.6578 -0.4849000     1.316000  
1 1 1 29 25 4  o 4.4250  0.6055 0.5654000      1.211000  
1 1 1 29 25 5  o 3.3590  0.7077 0.4757000      1.415000  
1 1 1 29 25 6  o 4.1950  0.6870 -0.3679000     1.374000  
1 1 1 30 0  0  o 6.4930  0.7917 0.000000       0.000000  
1 1 1 30 0  1  o 7.5370  0.4812 0.000000       0.000000  
1 1 1 30 0  2  o 2.0620  1.1340 0.000000       0.000000  
1 1 1 30 0  3  o 6.7970  0.5250 0.000000       0.000000  
1 1 1 30 0  4  o 9.2820  0.4017 0.000000       0.000000  
1 1 1 30 0  5  o 1.8120  1.0720 0.000000       0.000000  
1 1 1 30 0  6  o 3.6290  1.0690 0.000000       0.000000  
1 1 1 30 0  7  f 5.0930  0.8407 0.000000       0.000000  
1 1 1 30 0  8  o 3.0000  1.3880 0.000000       0.000000  
1 1 1 30 0  9  o 9.4370  0.5485 0.000000       0.000000  
1 1 1 30 0  10 f 8.3210  0.9325 0.000000       0.000000  
1 1 1 30 0  11 o 1.1180  0.8092 0.000000       0.000000  
1 1 1 30 0  12 o 4.0950  1.6110 0.000000       0.000000  
1 1 1 30 0  13 o 11.450  0.4837 0.000000       0.000000  
1 1 1 30 0  14 o 1.7800  1.0980 0.000000       0.000000  
1 1 1 30 0  15 o 2.0120  1.1610 0.000000       0.000000  
1 1 1 30 0  16 o 5.6430  0.7053 0.000000       0.000000  
1 1 1 30 0  17 o 1.9110  1.1270 0.000000       0.000000  
1 1 1 30 0  18 o 2.9660  1.2440 0.000000       0.000000  
1 1 1 30 0  19 o 6.8020  0.5831 0.000000       0.000000  
1 1 1 30 0  20 o 4.5450  0.9426 0.000000       0.000000  
1 1 1 30 0  21 o 2.7410  1.2460 0.000000       0.000000  
1 1 1 30 0  22 o 2.4150  1.2290 0.000000       0.000000  
1 1 1 30 0  23 o 6.5650  0.7694 0.000000       0.000000  
1 1 1 30 0  24 o 4.6230  1.1910 0.000000       0.000000  
1 1 1 30 0  25 o 3.0360  1.3800 0.000000       0.000000  
1 1 1 30 0  26 o 1.0980  0.7795 0.000000       0.000000  
1 1 1 30 0  27 o 5.1140  1.0090 0.000000       0.000000  
1 1 1 30 0  28 o 4.4560  1.1900 0.000000       0.000000  
1 1 1 30 0  29 o 3.9310  1.1290 0.000000       0.000000  
1 1 1 30 0  30 o 9.8800  0.4324 0.000000       0.000000  
1 1 1 30 0  31 o 1.6710  1.0490 0.000000       0.000000  
1 1 1 30 0  32 o 4.0220  1.0460 0.000000       0.000000  
1 1 1 30 0  33 o 6.3400  0.6008 0.000000       0.000000  
1 1 1 30 0  34 o 1.3040  0.8861 0.000000       0.000000  
1 1 1 30 0  35 o 5.3570  0.7221 0.000000       0.000000  
1 1 1 30 0  36 o 6.2990  0.6104 0.000000       0.000000  
1 1 1 30 0  37 o 1.0660  0.7597 0.000000       0.000000  
1 1 1 30 0  38 o 3.5300  1.3310 0.000000       0.000000  
1 1 1 30 0  39 o 8.4420  0.5825 0.000000       0.000000  
1 1 1 30 0  40 o 1.2060  0.8353 0.000000       0.000000  
1 1 1 30 0  41 o 4.8120  0.8250 0.000000       0.000000  
1 1 1 30 0  42 o 1.5920  1.0170 0.000000       0.000000  
1 1 1 30 0  43 o 2.5490  1.2390 0.000000       0.000000  
1 1 1 30 0  44 o 1.4940  0.9774 0.000000       0.000000  
1 1 1 30 0  45 o 3.8990  1.0950 0.000000       0.000000  
1 1 1 30 0  46 o 2.8980  1.2350 0.000000       0.000000  
1 1 1 30 1  0  o 16.600  0.2798 0.000000       0.000000  
1 1 1 30 1  1  o 6.6450  0.3800 -0.2195000     0.7600000 
1 1 1 30 1  2  o 8.3990  0.3080 -0.2435000     0.6160000 
1 1 1 30 1  3  o 6.9160  0.3669 0.3142000      0.7338000 
1 1 1 30 1  4  o 6.9880  0.3571 0.7408000      0.7142000 
1 1 1 30 1  5  o 9.8640  0.2923 -0.4179000     0.5846000 
1 1 1 30 1  6  o 4.5380  0.6458 1.323000       1.292000  
1 1 1 30 1  7  o 6.0330  0.5013 -0.1747000     1.003000  
1 1 1 30 1  8  o 5.8330  0.5682 -0.6576000     1.136000  
1 1 1 30 1  9  o 8.1950  0.4140 0.5484000      0.8280000 
1 1 1 30 1  10 o 12.300  0.3643 0.6397000      0.7286000 
1 1 1 30 1  11 o 2.2930  0.7255 0.1996000      1.451000  
1 1 1 30 1  12 o 3.0510  0.8091 0.5345000E-01  1.618000  
1 1 1 30 1  13 o 4.7530  0.7756 2.223000       1.551000  
1 1 1 30 1  14 o 2.8790  0.7616 -0.8888000     1.523000  
1 1 1 30 1  15 o 2.3400  0.7056 -0.6144000     1.411000  
1 1 1 30 1  16 o 5.3040  0.5865 0.8180000E-01  1.173000  
1 1 1 30 1  17 o 11.550  0.3054 0.6269000      0.6109000 
1 1 1 30 1  18 o 6.9030  0.5084 2.086000       1.017000  
1 1 1 30 1  19 o 2.5130  0.7086 0.2788000E-01  1.417000  
1 1 1 30 1  20 o 12.000  0.2659 0.1798000      0.5318000 
1 1 1 30 1  21 o 5.3170  0.5372 0.9611000      1.074000  
1 1 1 30 1  22 o 6.8570  0.4656 -0.6317000     0.9311000 
1 1 1 30 1  23 o 5.6480  0.6219 0.8927000E-01  1.244000  
1 1 1 30 1  24 o 6.0130  0.5739 0.5577000      1.148000  
1 1 1 30 1  25 o 4.7000  0.6573 1.550000       1.315000  
1 1 1 30 1  26 o 1.8700  0.6171 0.6699000      1.234000  
1 1 1 30 1  27 o 3.7870  0.7257 2.146000       1.451000  
1 1 1 30 1  28 o 7.1680  0.4752 -0.4688000     0.9504000 
1 1 1 30 1  29 o 3.4080  0.7007 -1.226000      1.401000  
1 1 1 30 1  30 o 4.1820  0.6479 -1.129000      1.296000  
1 1 1 30 1  31 o 5.7660  0.4746 -0.3670000     0.9492000 
1 1 1 30 1  32 o 8.0390  0.3468 -0.5588000     0.6936000 
1 1 1 30 1  33 o 3.1960  0.6969 0.9744000      1.394000  
1 1 1 30 1  34 o 2.4500  0.6828 0.3856000      1.366000  
1 1 1 30 1  35 o 3.0530  0.7391 0.3700000      1.478000  
1 1 1 30 1  36 o 2.8830  0.7250 -1.217000      1.450000  
1 1 1 30 1  37 o 2.7250  0.7405 -1.114000      1.481000  
1 1 1 30 1  38 o 7.3480  0.4235 0.2056000      0.8470000 
1 1 1 30 1  39 o 2.6440  0.7216 0.5049000      1.443000  
1 1 1 30 1  40 o 2.4180  0.7104 0.2666000E-01  1.421000  
1 1 1 30 1  41 o 1.9310  0.6318 0.1895000      1.264000  
1 1 1 30 1  42 o 2.6290  0.7395 0.7623000      1.479000  
1 1 1 30 1  43 o 2.6300  0.7333 -0.2609000     1.467000  
1 1 1 30 1  44 o 2.9760  0.7672 -0.1912000     1.534000  
1 1 1 30 1  45 o 2.1280  0.6725 0.3016000E-01  1.345000  
1 1 1 30 1  46 o 2.9430  0.7793 0.4599000      1.559000  
1 1 1 30 2  0  o 5.6580  0.6297 0.000000       0.000000  
1 1 1 30 2  1  o 3.4630  0.6675 0.6449000      1.335000  
1 1 1 30 2  2  o 3.7640  0.6288 0.9371000      1.258000  
1 1 1 30 2  3  o 6.9890  0.3827 0.3318000      0.7653000 
1 1 1 30 2  4  f 4.0610  0.7019 0.9264000      1.404000  
1 1 1 30 2  5  f 6.3560  0.4615 0.9745000      0.9230000 
1 1 1 30 2  6  o 4.0330  0.6902 -1.240000      1.380000  
1 1 1 30 2  7  o 4.8050  0.6667 0.8065000      1.333000  
1 1 1 30 2  8  o 5.4470  0.6528 1.538000       1.306000  
1 1 1 30 2  9  o 4.9960  0.6330 -0.9655000     1.266000  
1 1 1 30 2  10 o 6.6010  0.4399 1.012000       0.8798000 
1 1 1 30 2  11 o 2.3700  0.6928 0.1798000      1.386000  
1 1 1 30 2  12 f 3.0210  0.7345 -0.8692000E-01 1.469000  
1 1 1 30 2  13 f 12.820  0.3132 -0.1391000E-01 0.6264000 
1 1 1 30 2  14 o 3.8830  0.6413 -2.677000      1.283000  
1 1 1 30 2  15 o 2.6170  0.7767 -1.813000      1.553000  
1 1 1 30 2  16 o 4.0830  0.7346 -0.4204000     1.469000  
1 1 1 30 2  17 o 5.6320  0.5575 0.4815000E-01  1.115000  
1 1 1 30 2  18 o 7.3370  0.4431 1.106000       0.8862000 
1 1 1 30 2  19 o 6.8390  0.4541 -1.165000      0.9082000 
1 1 1 30 2  20 o 2.8410  0.7033 1.303000       1.407000  
1 1 1 30 2  21 o 4.9310  0.6292 -0.6910000     1.258000  
1 1 1 30 2  22 f 8.7510  0.4709 0.2567000E-01  0.9417000 
1 1 1 30 2  23 o 4.4560  0.8125 1.845000       1.625000  
1 1 1 30 2  24 o 7.4460  0.5753 -0.4861000     1.151000  
1 1 1 30 2  25 o 4.9900  0.6835 -0.2749000     1.367000  
1 1 1 30 2  26 o 3.1570  0.7192 -1.489000      1.438000  
1 1 1 30 2  27 o 5.9040  0.5989 1.052000       1.198000  
1 1 1 30 2  28 o 3.0070  0.7526 1.309000       1.505000  
1 1 1 30 2  29 o 1.7720  0.5960 -0.4231000     1.192000  
1 1 1 30 2  30 o 2.6320  0.6635 1.415000       1.327000  
1 1 1 30 2  31 o 4.5440  0.5951 0.8758000      1.190000  
1 1 1 30 2  32 o 2.1980  0.6728 0.6562000E-01  1.346000  
1 1 1 30 2  33 o 2.2130  0.6775 -0.6631000E-01 1.355000  
1 1 1 30 2  34 o 6.3400  0.4732 0.5224000      0.9464000 
1 1 1 30 2  35 o 2.5380  0.7206 -0.2138000     1.441000  
1 1 1 30 2  36 o 7.8670  0.4321 0.4139000      0.8642000 
1 1 1 30 2  37 o 2.5090  0.7137 -0.7582000     1.427000  
1 1 1 30 2  38 o 3.6610  0.7345 0.6149000      1.469000  
1 1 1 30 2  39 o 6.1440  0.4476 -0.8207000     0.8953000 
1 1 1 30 2  40 o 4.0550  0.6502 -0.9217000     1.300000  
1 1 1 30 2  41 o 1.8440  0.5921 -0.3911000     1.184000  
1 1 1 30 2  42 o 2.4490  0.6659 0.1713000      1.332000  
1 1 1 30 2  43 o 3.5420  0.6871 0.8018000      1.374000  
1 1 1 30 2  44 o 2.5370  0.6930 -0.3690000E-01 1.386000  
1 1 1 30 2  45 o 2.2470  0.6617 0.3686000      1.323000  
1 1 1 30 2  46 o 2.1350  0.6518 -0.1485000     1.304000  
1 1 1 30 3  0  o 15.660  0.2818 0.000000       0.000000  
1 1 1 30 3  1  o 1.8110  0.5840 -0.5039000     1.168000  
1 1 1 30 3  2  o 5.2590  0.5054 -0.4521000     1.011000  
1 1 1 30 3  3  o 2.3020  0.6936 0.2955000      1.387000  
1 1 1 30 3  4  o 8.7540  0.3553 -0.1214000E-01 0.7106000 
1 1 1 30 3  5  o 5.9660  0.5403 0.8863000      1.081000  
1 1 1 30 3  6  o 8.7240  0.3645 0.5149000      0.7290000 
1 1 1 30 3  7  f 14.320  0.3025 ?              ?         
1 1 1 30 3  8  o 3.0160  0.7156 -0.3966000     1.431000  
1 1 1 30 3  9  o 4.4600  0.6306 -0.1008000     1.261000  
1 1 1 30 3  10 o 2.0220  0.6375 -0.1963000     1.275000  
1 1 1 30 3  11 o 3.1190  0.7253 -0.3860000     1.451000  
1 1 1 30 3  12 o 4.8480  0.5774 -0.1353000     1.155000  
1 1 1 30 3  13 o 3.1690  0.6198 -2.594000      1.240000  
1 1 1 30 3  14 o 3.9860  0.6869 -0.1726000     1.374000  
1 1 1 30 3  15 f 5.7090  0.5517 0.5189000      1.103000  
1 1 1 30 3  16 o 5.3970  0.6016 1.039000       1.203000  
1 1 1 30 3  17 o 8.7820  0.3390 -0.4928000E-01 0.6780000 
1 1 1 30 3  18 o 7.0410  0.4085 1.067000       0.8170000 
1 1 1 30 3  19 o 4.2070  0.6538 1.640000       1.308000  
1 1 1 30 3  20 o 7.8150  0.3696 -0.4668000     0.7392000 
1 1 1 30 3  21 o 5.4600  0.5879 -0.9498000     1.176000  
1 1 1 30 3  22 o 2.7290  0.7991 -1.601000      1.598000  
1 1 1 30 3  23 o 4.4890  0.8199 -2.472000      1.640000  
1 1 1 30 3  24 o 3.9890  0.6809 3.167000       1.362000  
1 1 1 30 3  25 o 6.1410  0.6601 1.336000       1.320000  
1 1 1 30 3  26 o 5.8760  0.5852 -2.157000      1.170000  
1 1 1 30 3  27 o 3.1020  0.8145 0.4340000      1.629000  
1 1 1 30 3  28 o 2.4520  0.7447 -0.8880000E-01 1.489000  
1 1 1 30 3  29 o 2.2950  0.7173 -0.3306000     1.435000  
1 1 1 30 3  30 o 5.0940  0.5881 0.6609000      1.176000  
1 1 1 30 3  31 o 3.1310  0.7439 -0.8297000E-01 1.488000  
1 1 1 30 3  32 o 3.5190  0.6964 1.412000       1.393000  
1 1 1 30 3  33 o 3.5870  0.7345 0.3798000      1.469000  
1 1 1 30 3  34 o 4.9400  0.6835 -0.2513000     1.367000  
1 1 1 30 3  35 o 7.8900  0.4144 1.058000       0.8289000 
1 1 1 30 3  36 o 4.3710  0.6804 0.9716000      1.361000  
1 1 1 30 3  37 o 2.7380  0.7421 -0.6621000     1.484000  
1 1 1 30 3  38 o 2.3930  0.6963 -1.117000      1.393000  
1 1 1 30 3  39 o 3.5990  0.6969 0.4977000E-01  1.394000  
1 1 1 30 3  40 o 2.7130  0.7105 0.2326000      1.421000  
1 1 1 30 3  41 o 2.3820  0.6806 -0.6376000     1.361000  
1 1 1 30 3  42 o 2.9500  0.6779 -1.080000      1.356000  
1 1 1 30 3  43 o 2.9470  0.6903 -0.1898000     1.381000  
1 1 1 30 3  44 o 2.1970  0.6363 0.2235000      1.273000  
1 1 1 30 3  45 o 2.6980  0.6767 -0.8299000     1.353000  
1 1 1 30 3  46 o 2.7670  0.6701 1.349000       1.340000  
1 1 1 30 4  0  o 3.5870  1.1940 0.000000       0.000000  
1 1 1 30 4  1  o 8.2310  0.3523 -1.241000      0.7045000 
1 1 1 30 4  2  o 6.8220  0.4288 0.3048000      0.8577000 
1 1 1 30 4  3  o 5.9380  0.4942 0.6720000      0.9884000 
1 1 1 30 4  4  o 5.2840  0.6060 -0.2229000     1.212000  
1 1 1 30 4  5  o 3.6170  0.7675 3.035000       1.535000  
1 1 1 30 4  6  o 8.8430  0.3598 -1.049000      0.7196000 
1 1 1 30 4  7  o 5.7370  0.5021 -0.9124000     1.004000  
1 1 1 30 4  8  o 3.0250  0.7372 0.8403000E-01  1.474000  
1 1 1 30 4  9  o 10.610  0.2889 1.300000       0.5778000 
1 1 1 30 4  10 o 2.7980  0.7235 0.1535000      1.447000  
1 1 1 30 4  11 o 2.9640  0.6860 -0.8772000     1.372000  
1 1 1 30 4  12 o 3.1710  0.6985 -0.1723000     1.397000  
1 1 1 30 4  13 o 7.1660  0.3645 0.4330000      0.7290000 
1 1 1 30 4  14 o 7.7420  0.3681 -0.4299000     0.7363000 
1 1 1 30 4  15 o 7.8750  0.3657 -0.3343000     0.7313000 
1 1 1 30 4  16 o 4.6710  0.6682 1.208000       1.336000  
1 1 1 30 4  17 o 4.0250  0.6714 -1.073000      1.343000  
1 1 1 30 4  18 o 9.8190  0.3457 0.5551000      0.6914000 
1 1 1 30 4  19 o 9.2520  0.3220 0.5283000      0.6440000 
1 1 1 30 4  20 o 4.6650  0.6707 -0.2839000     1.341000  
1 1 1 30 4  21 o 5.6930  0.6693 ?              ?         
1 1 1 30 4  22 o 2.6150  0.7358 -0.9993000     1.472000  
1 1 1 30 4  23 o 3.9170  0.7970 -0.5378000     1.594000  
1 1 1 30 4  24 o 5.5060  0.5705 1.693000       1.141000  
1 1 1 30 4  25 o 5.4610  0.7225 -2.742000      1.445000  
1 1 1 30 4  26 o 1.8100  0.6034 0.3135000      1.207000  
1 1 1 30 4  27 o 2.7550  0.7165 1.439000       1.433000  
1 1 1 30 4  28 o 2.6750  0.7701 -0.3113000     1.540000  
1 1 1 30 4  29 o 2.0230  0.8919 ?              ?         
1 1 1 30 4  30 o 6.9270  0.4329 -0.7508000     0.8658000 
1 1 1 30 4  31 o 2.2510  0.6836 -0.6598000     1.367000  
1 1 1 30 4  32 o 3.2120  0.7562 -0.4715000     1.512000  
1 1 1 30 4  33 o 3.6420  0.7912 0.2662000      1.582000  
1 1 1 30 4  34 o 3.9690  0.7204 -1.002000      1.441000  
1 1 1 30 4  35 o 2.7610  0.7363 0.2076000      1.473000  
1 1 1 30 4  36 o 7.1010  0.4544 1.304000       0.9088000 
1 1 1 30 4  37 o 5.0070  0.6146 0.3965000      1.229000  
1 1 1 30 4  38 o 2.3700  0.6759 0.4279000      1.352000  
1 1 1 30 4  39 o 5.6360  0.4882 0.6565000      0.9765000 
1 1 1 30 4  40 o 2.3220  0.6755 0.4897000      1.351000  
1 1 1 30 4  41 o 7.9570  0.3678 1.249000       0.7355000 
1 1 1 30 4  42 o 3.3230  0.6365 1.470000       1.273000  
1 1 1 30 4  43 o 3.2290  0.6827 0.1043000      1.365000  
1 1 1 30 4  44 o 2.1310  0.6368 -0.3214000     1.274000  
1 1 1 30 4  45 o 3.9820  0.6112 0.9868000      1.222000  
1 1 1 30 5  0  o 5.7070  0.7083 0.000000       0.000000  
1 1 1 30 5  1  o 9.3000  0.3503 0.4788000      0.7007000 
1 1 1 30 5  2  o 5.0070  0.6554 -2.294000      1.311000  
1 1 1 30 5  3  o 9.9590  0.3433 0.2607000      0.6866000 
1 1 1 30 5  4  o 7.4690  0.4971 0.1822000      0.9942000 
1 1 1 30 5  5  o 9.2430  0.3040 -0.6287000     0.6079000 
1 1 1 30 5  6  o 5.2170  0.5673 -1.852000      1.135000  
1 1 1 30 5  7  o 3.2530  0.7186 -0.9298000     1.437000  
1 1 1 30 5  8  o 6.8260  0.4178 0.9269000      0.8357000 
1 1 1 30 5  9  o 7.3930  0.4316 2.096000       0.8632000 
1 1 1 30 5  10 o 4.7580  0.5555 0.6767000      1.111000  
1 1 1 30 5  11 o 10.190  0.2752 0.2275000      0.5505000 
1 1 1 30 5  12 o 4.4100  0.5880 0.5902000      1.176000  
1 1 1 30 5  13 o 4.1720  0.6081 -1.201000      1.216000  
1 1 1 30 5  14 o 3.0190  0.6920 0.7430000      1.384000  
1 1 1 30 5  15 o 3.6430  0.7019 0.2134000      1.404000  
1 1 1 30 5  16 o 5.4960  0.5171 1.568000       1.034000  
1 1 1 30 5  17 o 6.0530  0.4651 1.126000       0.9301000 
1 1 1 30 5  18 o 2.2440  0.6920 0.5169000      1.384000  
1 1 1 30 5  19 o 4.2420  0.8221 0.5307000      1.644000  
1 1 1 30 5  20 o 3.1920  0.7413 1.488000       1.483000  
1 1 1 30 5  21 o 7.5080  0.4165 -0.4909000     0.8331000 
1 1 1 30 5  22 o 2.7320  0.7415 0.8816000E-01  1.483000  
1 1 1 30 5  23 o 5.2850  0.6059 -0.7592000     1.212000  
1 1 1 30 5  24 o 3.1690  0.8283 0.8003000      1.657000  
1 1 1 30 5  25 o 6.7030  0.5923 0.7624000      1.185000  
1 1 1 30 5  26 o 8.3680  0.4325 2.722000       0.8650000 
1 1 1 30 5  27 o 4.5900  0.7662 0.6416000E-01  1.532000  
1 1 1 30 5  28 o 5.1440  0.7028 -2.419000      1.406000  
1 1 1 30 5  29 o 2.4310  0.6902 0.6332000      1.380000  
1 1 1 30 5  30 o 4.2590  0.6781 0.1920000E-01  1.356000  
1 1 1 30 5  31 o 4.5630  0.6475 -2.523000      1.295000  
1 1 1 30 5  32 o 2.4850  0.7136 1.242000       1.427000  
1 1 1 30 5  33 o 2.7910  0.6870 1.266000       1.374000  
1 1 1 30 5  34 o 2.4760  0.7188 -0.4912000     1.438000  
1 1 1 30 5  35 o 2.7860  0.6843 1.336000       1.369000  
1 1 1 30 5  36 f 2.7600  0.7354 0.3802000      1.471000  
1 1 1 30 5  37 o 3.5610  0.7510 -0.1307000     1.502000  
1 1 1 30 5  38 o 6.4650  0.4611 2.150000       0.9221000 
1 1 1 30 5  39 o 1.8670  0.6036 0.2986000      1.207000  
1 1 1 30 5  40 o 3.0720  0.7131 0.6496000      1.426000  
1 1 1 30 5  41 o 1.9090  0.6154 0.4336000E-02  1.231000  
1 1 1 30 5  42 o 2.0500  0.6197 -0.8843000     1.239000  
1 1 1 30 5  43 o 3.2190  0.6617 0.4586000      1.323000  
1 1 1 30 5  44 o 3.7590  0.6334 -0.4003000     1.267000  
1 1 1 30 5  45 o 2.6490  0.5750 1.864000       1.150000  
1 1 1 30 6  0  o 2.1210  1.1930 0.000000       0.000000  
1 1 1 30 6  1  f 2.7340  0.7526 0.1881000      1.505000  
1 1 1 30 6  2  o 2.5240  0.7695 1.088000       1.539000  
1 1 1 30 6  3  o 5.8140  0.5750 -0.5346000     1.150000  
1 1 1 30 6  4  o 4.5330  0.6224 -0.5420000     1.245000  
1 1 1 30 6  5  o 10.090  0.3280 -0.1044000     0.6561000 
1 1 1 30 6  6  o 4.8150  0.5817 0.5938000      1.163000  
1 1 1 30 6  7  o 9.1800  0.3183 -1.528000      0.6366000 
1 1 1 30 6  8  o 5.1500  0.5507 1.028000       1.101000  
1 1 1 30 6  9  f 2.8070  0.6980 0.5323000      1.396000  
1 1 1 30 6  10 o 7.4330  0.3537 1.094000       0.7074000 
1 1 1 30 6  11 o 4.0560  0.6211 -1.385000      1.242000  
1 1 1 30 6  12 o 7.4520  0.3514 0.2079000      0.7028000 
1 1 1 30 6  13 f 4.0640  0.6134 -1.795000      1.227000  
1 1 1 30 6  14 o 6.3230  0.4079 -0.2690000     0.8158000 
1 1 1 30 6  15 o 3.2790  0.6783 -0.7475000     1.357000  
1 1 1 30 6  16 o 4.9750  0.5114 0.2638000      1.023000  
1 1 1 30 6  17 o 5.7200  0.4825 0.4151000      0.9651000 
1 1 1 30 6  18 o 3.8040  0.7088 1.394000       1.418000  
1 1 1 30 6  19 o 8.3380  0.4210 0.3817000      0.8420000 
1 1 1 30 6  20 o 3.6020  0.7467 0.4792000      1.493000  
1 1 1 30 6  21 o 5.4810  0.7707 0.6858000      1.541000  
1 1 1 30 6  22 o 3.1780  0.7207 0.4291000      1.441000  
1 1 1 30 6  23 o 2.1030  0.6915 -0.6007000E-02 1.383000  
1 1 1 30 6  24 o 5.0960  0.7456 2.396000       1.491000  
1 1 1 30 6  25 o 3.8480  0.8534 0.7381000      1.707000  
1 1 1 30 6  26 o 3.3000  0.7571 -0.4377000     1.514000  
1 1 1 30 6  27 o 5.3690  0.7189 1.322000       1.438000  
1 1 1 30 6  28 o 2.6900  0.7272 0.8500000      1.454000  
1 1 1 30 6  29 o 5.9190  0.5302 0.7799000      1.060000  
1 1 1 30 6  30 o 2.9060  0.7706 0.7419000      1.541000  
1 1 1 30 6  31 o 2.2630  0.6716 -1.383000      1.343000  
1 1 1 30 6  32 o 2.8910  0.7540 -0.9384000E-01 1.508000  
1 1 1 30 6  33 o 4.1630  0.6759 -2.348000      1.352000  
1 1 1 30 6  34 o 5.7780  0.5674 1.434000       1.135000  
1 1 1 30 6  35 o 8.9830  0.3780 1.185000       0.7561000 
1 1 1 30 6  36 f 5.1620  0.6069 -0.1597000     1.214000  
1 1 1 30 6  37 o 3.1430  0.6710 -1.757000      1.342000  
1 1 1 30 6  38 o 2.2050  0.6839 -0.5780000     1.368000  
1 1 1 30 6  39 o 2.2690  0.6612 -0.9318000     1.322000  
1 1 1 30 6  40 o 5.3440  0.5208 -0.7952000E-01 1.042000  
1 1 1 30 6  41 o 2.9750  0.7083 -0.9019000     1.417000  
1 1 1 30 6  42 o 2.0210  0.6317 0.2896000      1.263000  
1 1 1 30 6  43 o 2.7590  0.6824 -0.2525000     1.365000  
1 1 1 30 6  44 o 5.2820  0.4661 -0.3224000     0.9322000 
1 1 1 30 7  0  o 5.4180  1.0160 0.000000       0.000000  
1 1 1 30 7  1  o 9.9090  0.4299 -0.6234000     0.8598000 
1 1 1 30 7  2  o 7.9740  0.4132 -0.3867000     0.8264000 
1 1 1 30 7  3  o 10.590  0.3167 -0.9310000     0.6333000 
1 1 1 30 7  4  o 9.9780  0.2937 -0.3111000     0.5873000 
1 1 1 30 7  5  o 11.450  0.3059 0.9682000      0.6117000 
1 1 1 30 7  6  o 5.3630  0.6169 1.678000       1.234000  
1 1 1 30 7  7  o 4.2580  0.7005 0.1174000      1.401000  
1 1 1 30 7  8  o 3.5640  0.6345 2.212000       1.269000  
1 1 1 30 7  9  o 1.8860  0.5977 -0.3669000     1.195000  
1 1 1 30 7  10 o 7.1250  0.3624 0.5203000      0.7248000 
1 1 1 30 7  11 o 4.9950  0.5325 2.018000       1.065000  
1 1 1 30 7  12 o 7.8010  0.3363 0.3082000      0.6726000 
1 1 1 30 7  13 o 3.2130  0.6828 -0.7278000     1.366000  
1 1 1 30 7  14 o 5.6230  0.4507 0.5120000      0.9013000 
1 1 1 30 7  15 o 5.7550  0.4419 0.7701000      0.8838000 
1 1 1 30 7  16 f 4.4790  0.5771 -0.6951000     1.154000  
1 1 1 30 7  17 o 8.0010  0.3472 0.2043000      0.6943000 
1 1 1 30 7  18 o 7.2950  0.4408 0.9584000      0.8817000 
1 1 1 30 7  19 o 2.7040  0.7366 0.2336000E-02  1.473000  
1 1 1 30 7  20 o 2.5240  0.7209 -0.4100000     1.442000  
1 1 1 30 7  21 o 6.0790  0.5533 -0.5193000     1.107000  
1 1 1 30 7  22 o 4.1820  0.7555 -1.729000      1.511000  
1 1 1 30 7  23 o 3.3150  0.8679 -1.927000      1.736000  
1 1 1 30 7  24 o 5.5910  0.7046 -0.4529000     1.409000  
1 1 1 30 7  25 o 4.5510  0.6756 0.4335000      1.351000  
1 1 1 30 7  26 f 4.2410  0.8163 -0.8000000     1.633000  
1 1 1 30 7  27 o 9.9360  0.4468 1.138000       0.8936000 
1 1 1 30 7  28 o 5.8190  0.6522 -0.7709000     1.304000  
1 1 1 30 7  29 f 2.1990  0.6837 0.9046000      1.367000  
1 1 1 30 7  30 o 5.5840  0.5477 0.3917000      1.095000  
1 1 1 30 7  31 o 4.0120  0.7155 -0.3714000     1.431000  
1 1 1 30 7  32 o 4.3430  0.6801 1.336000       1.360000  
1 1 1 30 7  33 o 1.9710  0.6399 -0.2958000     1.280000  
1 1 1 30 7  34 o 5.1720  0.6240 1.116000       1.248000  
1 1 1 30 7  35 o 3.1710  0.7392 0.8776000      1.478000  
1 1 1 30 7  36 o 4.8670  0.5734 0.2528000      1.147000  
1 1 1 30 7  37 o 2.1860  0.6553 0.6027000      1.311000  
1 1 1 30 7  38 o 4.7900  0.5837 -1.495000      1.167000  
1 1 1 30 7  39 o 1.9840  0.6457 -0.3054000     1.291000  
1 1 1 30 7  40 o 2.1030  0.6486 0.3045000      1.297000  
1 1 1 30 7  41 o 3.5990  0.6532 1.870000       1.306000  
1 1 1 30 7  42 o 2.3810  0.6754 0.6389000      1.351000  
1 1 1 30 7  43 o 3.0190  0.6581 0.6971000      1.316000  
1 1 1 30 7  44 f 3.2220  0.6320 1.330000       1.264000  
1 1 1 30 8  0  o 8.0460  0.6843 0.000000       0.000000  
1 1 1 30 8  1  f 4.7140  0.7254 -0.9716000     1.451000  
1 1 1 30 8  2  o 2.8170  0.7591 0.7015000E-01  1.518000  
1 1 1 30 8  3  f 6.4550  0.4253 -0.6192000     0.8507000 
1 1 1 30 8  4  o 5.7100  0.5238 -0.8998000     1.048000  
1 1 1 30 8  5  o 2.0590  0.6543 -0.8588000     1.309000  
1 1 1 30 8  6  o 3.2730  0.6938 1.580000       1.388000  
1 1 1 30 8  7  o 9.2570  0.3133 1.131000       0.6265000 
1 1 1 30 8  8  o 5.7200  0.4697 -0.7998000     0.9394000 
1 1 1 30 8  9  o 5.3620  0.5041 -0.7413000     1.008000  
1 1 1 30 8  10 o 2.7210  0.6840 1.026000       1.368000  
1 1 1 30 8  11 o 4.8040  0.5239 0.6686000      1.048000  
1 1 1 30 8  12 f 4.1950  0.6051 -1.073000      1.210000  
1 1 1 30 8  13 o 3.9570  0.6238 -0.1352000     1.248000  
1 1 1 30 8  14 o 2.2940  0.6452 0.9018000      1.290000  
1 1 1 30 8  15 o 2.8790  0.6513 1.706000       1.303000  
1 1 1 30 8  16 o 4.2390  0.6269 1.523000       1.254000  
1 1 1 30 8  17 o 5.9660  0.4535 0.1456000      0.9071000 
1 1 1 30 8  18 o 3.7340  0.6816 -0.1508000     1.363000  
1 1 1 30 8  19 o 7.0310  0.3896 0.5933000      0.7792000 
1 1 1 30 8  20 o 3.0970  0.7233 -1.840000      1.447000  
1 1 1 30 8  21 o 4.7110  0.6808 -0.8800000     1.362000  
1 1 1 30 8  22 o 3.8990  0.8444 -0.2650000     1.689000  
1 1 1 30 8  23 o 2.7040  0.7982 0.8842000      1.596000  
1 1 1 30 8  24 o 4.7490  0.8013 -2.971000      1.603000  
1 1 1 30 8  25 o 6.5160  0.4992 1.107000       0.9983000 
1 1 1 30 8  26 o 2.4610  0.7667 -1.232000      1.533000  
1 1 1 30 8  27 o 8.4650  0.5221 -2.067000      1.044000  
1 1 1 30 8  28 o 4.3670  0.6843 1.102000       1.369000  
1 1 1 30 8  29 o 2.9440  0.7380 0.3088000      1.476000  
1 1 1 30 8  30 o 4.1430  0.6993 0.1074000      1.399000  
1 1 1 30 8  31 o 3.5660  0.7152 -1.838000      1.430000  
1 1 1 30 8  32 o 2.3280  0.6795 -1.369000      1.359000  
1 1 1 30 8  33 o 6.1860  0.5379 2.004000       1.076000  
1 1 1 30 8  34 o 3.7230  0.7386 0.1800000      1.477000  
1 1 1 30 8  35 o 2.4780  0.7221 -0.5544000     1.444000  
1 1 1 30 8  36 o 5.2340  0.5935 -1.281000      1.187000  
1 1 1 30 8  37 o 1.9330  0.6315 -0.2504000E-01 1.263000  
1 1 1 30 8  38 o 4.1620  0.6928 1.409000       1.386000  
1 1 1 30 8  39 o 4.5620  0.6858 -0.9266000     1.372000  
1 1 1 30 8  40 o 3.0590  0.7684 -0.3516000     1.537000  
1 1 1 30 8  41 o 4.9690  0.6526 0.8547000      1.305000  
1 1 1 30 8  42 o 3.2230  0.7599 0.4817000      1.520000  
1 1 1 30 8  43 o 4.7110  0.6198 ?              ?         
1 1 1 30 9  0  o 1.5330  1.0370 0.000000       0.000000  
1 1 1 30 9  1  o 7.0190  0.4680 -0.7721000     0.9360000 
1 1 1 30 9  2  o 5.6060  0.5398 0.3529000E-01  1.080000  
1 1 1 30 9  3  o 5.6910  0.4823 0.1007000      0.9646000 
1 1 1 30 9  4  o 4.9020  0.6149 -0.7206000     1.230000  
1 1 1 30 9  5  o 3.8340  0.7279 0.3917000      1.456000  
1 1 1 30 9  6  o 2.5130  0.9657 ?              ?         
1 1 1 30 9  7  o 2.3930  0.6790 0.3284000      1.358000  
1 1 1 30 9  8  o 9.1390  0.3107 1.001000       0.6215000 
1 1 1 30 9  9  o 2.8690  0.7087 -0.5717000     1.417000  
1 1 1 30 9  10 o 8.7910  0.3171 0.5299000E-01  0.6342000 
1 1 1 30 9  11 o 6.4790  0.4161 0.8410000      0.8322000 
1 1 1 30 9  12 f 3.1660  0.6027 2.448000       1.205000  
1 1 1 30 9  13 o 4.6320  0.5815 1.026000       1.163000  
1 1 1 30 9  14 o 6.8030  0.4010 1.167000       0.8021000 
1 1 1 30 9  15 o 3.9140  0.6130 2.402000       1.226000  
1 1 1 30 9  16 o 2.8190  0.6513 1.496000       1.303000  
1 1 1 30 9  17 o 1.6380  0.5555 0.5565000E-01  1.111000  
1 1 1 30 9  18 o 2.4540  0.6854 -0.2047000     1.371000  
1 1 1 30 9  19 o 1.8630  0.6098 -0.7062000E-01 1.220000  
1 1 1 30 9  20 o 5.4060  0.5390 -0.5023000E-01 1.078000  
1 1 1 30 9  21 o 11.160  0.3237 -0.9157000     0.6475000 
1 1 1 30 9  22 o 4.6280  0.7973 0.9157000      1.595000  
1 1 1 30 9  23 o 4.4060  0.7291 -0.7580000     1.458000  
1 1 1 30 9  24 o 6.5080  0.5167 -0.8615000     1.033000  
1 1 1 30 9  25 o 2.0850  0.6799 0.1134000      1.360000  
1 1 1 30 9  26 o 4.0680  0.8444 -1.368000      1.689000  
1 1 1 30 9  27 o 4.2150  0.6646 3.287000       1.329000  
1 1 1 30 9  28 o 6.9600  0.4697 0.9967000      0.9394000 
1 1 1 30 9  29 o 1.9380  0.6318 -0.2953000     1.264000  
1 1 1 30 9  30 o 2.8460  0.7456 -0.7422000     1.491000  
1 1 1 30 9  31 o 2.6370  0.7061 0.7359000      1.412000  
1 1 1 30 9  32 o 3.1140  0.7489 -0.7710000E-01 1.498000  
1 1 1 30 9  33 o 2.3480  0.6987 -0.5341000     1.397000  
1 1 1 30 9  34 o 3.8490  0.7057 1.157000       1.411000  
1 1 1 30 9  35 o 1.8710  0.5998 0.4352000      1.200000  
1 1 1 30 9  36 o 2.0020  0.6300 -0.3558000     1.260000  
1 1 1 30 9  37 o 5.8080  0.4824 -0.6337000     0.9648000 
1 1 1 30 9  38 o 3.4440  0.7185 0.2892000E-01  1.437000  
1 1 1 30 9  39 f 4.1990  0.6590 1.568000       1.318000  
1 1 1 30 9  40 o 2.4180  0.7195 0.1243000      1.439000  
1 1 1 30 9  41 o 2.7560  0.7644 0.6448000E-01  1.529000  
1 1 1 30 9  42 o 2.5290  0.7230 0.5362000E-01  1.446000  
1 1 1 30 9  43 o 3.1050  0.8027 0.9339000      1.605000  
1 1 1 30 10 0  o 2.9690  1.3950 0.000000       0.000000  
1 1 1 30 10 1  o 9.6630  0.3511 1.390000       0.7022000 
1 1 1 30 10 2  o 6.1270  0.4513 0.8892000      0.9026000 
1 1 1 30 10 3  o 8.2440  0.3500 0.6815000      0.7001000 
1 1 1 30 10 4  o 4.6930  0.7249 2.013000       1.450000  
1 1 1 30 10 5  o 5.0730  0.5919 0.1184000      1.184000  
1 1 1 30 10 6  o 3.8630  0.6680 0.9701000      1.336000  
1 1 1 30 10 7  o 2.2580  0.6561 0.6061000      1.312000  
1 1 1 30 10 8  o 1.8910  0.6010 0.4627000      1.202000  
1 1 1 30 10 9  o 2.5060  0.6626 1.100000       1.325000  
1 1 1 30 10 10 o 4.6410  0.5838 1.668000       1.168000  
1 1 1 30 10 11 o 3.7820  0.6463 -1.523000      1.293000  
1 1 1 30 10 12 o 2.0000  0.6233 0.7572000E-01  1.247000  
1 1 1 30 10 13 o 2.9160  0.6998 0.1684000      1.400000  
1 1 1 30 10 14 o 5.7450  0.4559 -1.183000      0.9117000 
1 1 1 30 10 15 o 6.8190  0.4181 -1.284000      0.8362000 
1 1 1 30 10 16 o 6.8520  0.3891 0.3631000      0.7782000 
1 1 1 30 10 17 o 6.1640  0.4641 1.452000       0.9282000 
1 1 1 30 10 18 o 4.7960  0.5935 0.5244000      1.187000  
1 1 1 30 10 19 o 3.1770  0.7363 0.2139000E-01  1.473000  
1 1 1 30 10 20 o 2.4510  0.6967 -0.4517000     1.393000  
1 1 1 30 10 21 o 7.4200  0.3691 -1.025000      0.7382000 
1 1 1 30 10 22 o 3.5550  0.7224 -0.8568000     1.445000  
1 1 1 30 10 23 o 8.4580  0.4081 -0.3571000E-01 0.8162000 
1 1 1 30 10 24 o 4.6100  0.7051 -2.715000      1.410000  
1 1 1 30 10 25 o 2.6750  0.8087 -0.4684000     1.617000  
1 1 1 30 10 26 o 4.0610  0.8071 1.554000       1.614000  
1 1 1 30 10 27 o 2.6250  0.7836 -0.6331000     1.567000  
1 1 1 30 10 28 o 3.0620  0.7528 -1.261000      1.506000  
1 1 1 30 10 29 o 4.4850  0.6686 -0.2383000     1.337000  
1 1 1 30 10 30 f 2.7390  0.7321 0.1493000      1.464000  
1 1 1 30 10 31 o 6.8520  0.4456 0.3271000      0.8912000 
1 1 1 30 10 32 o 2.5270  0.7139 -0.2247000E-01 1.428000  
1 1 1 30 10 33 o 3.3890  0.6828 1.591000       1.366000  
1 1 1 30 10 34 o 1.9320  0.6148 0.2456000      1.230000  
1 1 1 30 10 35 o 1.9330  0.6128 0.2923000      1.226000  
1 1 1 30 10 36 o 2.8260  0.6955 -1.071000      1.391000  
1 1 1 30 10 37 o 3.2860  0.7150 -1.081000      1.430000  
1 1 1 30 10 38 o 2.3010  0.6971 0.8543000      1.394000  
1 1 1 30 10 39 o 2.6100  0.7294 0.9832000      1.459000  
1 1 1 30 10 40 o 1.6490  0.5670 0.3652000      1.134000  
1 1 1 30 10 41 o 2.8880  0.7551 0.3532000      1.510000  
1 1 1 30 10 42 o 4.8970  0.5806 -2.333000      1.161000  
1 1 1 30 11 0  f 4.8290  1.1200 0.000000       0.000000  
1 1 1 30 11 1  o 5.8530  0.5411 -0.1893000     1.082000  
1 1 1 30 11 2  o 9.6330  0.3020 -0.1482000     0.6040000 
1 1 1 30 11 3  o 3.2320  0.7283 -1.746000      1.457000  
1 1 1 30 11 4  f 7.0450  0.4277 -0.1371000     0.8553000 
1 1 1 30 11 5  o 2.6090  0.7643 -0.6844000     1.529000  
1 1 1 30 11 6  o 1.9740  0.6189 0.4196000      1.238000  
1 1 1 30 11 7  o 3.3510  0.6477 2.052000       1.295000  
1 1 1 30 11 8  o 3.8650  0.6483 -1.189000      1.297000  
1 1 1 30 11 9  o 1.9950  0.6201 0.2819000      1.240000  
1 1 1 30 11 10 o 2.8920  0.7006 -0.6321000     1.401000  
1 1 1 30 11 11 o 5.9600  0.4412 0.7409000      0.8824000 
1 1 1 30 11 12 o 9.0280  0.3039 0.9891000      0.6079000 
1 1 1 30 11 13 f 5.1010  0.5471 -1.425000      1.094000  
1 1 1 30 11 14 o 6.7280  0.4240 -0.3226000E-01 0.8479000 
1 1 1 30 11 15 o 2.5800  0.7271 -0.3748000     1.454000  
1 1 1 30 11 16 o 2.4480  0.6999 0.6832000      1.400000  
1 1 1 30 11 17 o 2.9620  0.7629 0.9354000E-01  1.526000  
1 1 1 30 11 18 o 4.0190  0.6848 -0.7210000     1.370000  
1 1 1 30 11 19 o 7.2930  0.4160 -2.251000      0.8320000 
1 1 1 30 11 20 o 3.5680  0.6804 0.3660000      1.361000  
1 1 1 30 11 21 o 6.6940  0.4063 0.9798000      0.8127000 
1 1 1 30 11 22 o 5.1700  0.7758 -0.6996000E-01 1.552000  
1 1 1 30 11 23 o 3.8120  0.6965 -1.354000      1.393000  
1 1 1 30 11 24 o 1.8800  0.6204 -0.2770000     1.241000  
1 1 1 30 11 25 o 5.0730  0.7503 -1.820000      1.501000  
1 1 1 30 11 26 o 3.4080  0.8994 -0.6401000     1.799000  
1 1 1 30 11 27 f 3.9660  0.7682 0.2011000      1.536000  
1 1 1 30 11 28 o 3.5590  0.7064 -2.224000      1.413000  
1 1 1 30 11 29 o 1.7510  0.5821 0.1652000      1.164000  
1 1 1 30 11 30 f 3.8240  0.6556 0.8356000      1.311000  
1 1 1 30 11 31 o 3.3880  0.6620 1.553000       1.324000  
1 1 1 30 11 32 o 4.6830  0.6420 2.581000       1.284000  
1 1 1 30 11 33 o 2.5270  0.6878 -0.8135000     1.376000  
1 1 1 30 11 34 o 2.9360  0.7129 1.918000       1.426000  
1 1 1 30 11 35 o 3.4230  0.7357 1.381000       1.471000  
1 1 1 30 11 36 o 2.1800  0.6534 -0.6012000     1.307000  
1 1 1 30 11 37 o 3.1300  0.7416 -0.4331000     1.483000  
1 1 1 30 11 38 o 6.8990  0.3755 0.4136000      0.7510000 
1 1 1 30 11 39 o 1.7630  0.5769 -0.3717000E-01 1.154000  
1 1 1 30 11 40 o 3.9660  0.6348 -1.185000      1.270000  
1 1 1 30 11 41 o 2.4070  0.6350 1.444000       1.270000  
1 1 1 30 12 0  o 4.7380  1.1220 0.000000       0.000000  
1 1 1 30 12 1  o 5.6880  0.5699 2.706000       1.140000  
1 1 1 30 12 2  o 2.7490  0.6516 1.670000       1.303000  
1 1 1 30 12 3  o 3.3610  0.7392 0.6070000      1.478000  
1 1 1 30 12 4  o 7.5000  0.4091 -0.7274000E-01 0.8182000 
1 1 1 30 12 5  o 3.1770  0.7302 0.6311000      1.460000  
1 1 1 30 12 6  o 2.1630  0.6529 -0.2166000     1.306000  
1 1 1 30 12 7  o 2.1690  0.6600 0.3069000E-01  1.320000  
1 1 1 30 12 8  o 5.9880  0.4412 0.2668000      0.8824000 
1 1 1 30 12 9  o 5.3700  0.4803 0.1992000E-01  0.9606000 
1 1 1 30 12 10 o 4.7160  0.5543 0.1120000E-01  1.109000  
1 1 1 30 12 11 o 5.7360  0.4610 -0.5756000     0.9220000 
1 1 1 30 12 12 o 4.3530  0.6731 1.638000       1.346000  
1 1 1 30 12 13 o 4.6390  0.6487 0.6498000      1.297000  
1 1 1 30 12 14 o 2.5890  0.7257 0.1426000      1.451000  
1 1 1 30 12 15 o 5.2710  0.5737 0.2045000      1.147000  
1 1 1 30 12 16 o 7.1650  0.4400 1.256000       0.8799000 
1 1 1 30 12 17 o 3.9350  0.7056 0.2099000      1.411000  
1 1 1 30 12 18 o 5.1910  0.5640 -0.1722000     1.128000  
1 1 1 30 12 19 o 4.3580  0.6572 0.1375000      1.314000  
1 1 1 30 12 20 o 2.5110  0.6609 -2.083000      1.322000  
1 1 1 30 12 21 o 5.7380  0.6722 0.5435000      1.344000  
1 1 1 30 12 22 o 3.1330  0.7198 0.3386000      1.440000  
1 1 1 30 12 23 o 4.9400  0.5997 -0.8021000     1.199000  
1 1 1 30 12 24 o 3.3780  0.6913 1.171000       1.383000  
1 1 1 30 12 25 o 3.2350  0.6059 2.183000       1.212000  
1 1 1 30 12 26 o 6.2720  0.4226 -0.3625000     0.8451000 
1 1 1 30 12 27 o 5.1420  0.5142 0.1282000      1.028000  
1 1 1 30 12 28 o 5.9360  0.4524 -0.6919000     0.9047000 
1 1 1 30 12 29 o 2.2970  0.6833 -0.3514000     1.367000  
1 1 1 30 12 30 o 2.9700  0.7348 -1.382000      1.470000  
1 1 1 30 12 31 o 3.2380  0.7993 0.4811000      1.599000  
1 1 1 30 12 32 o 2.4350  0.6885 -0.6000000     1.377000  
1 1 1 30 12 33 o 2.0670  0.6572 0.4192000      1.314000  
1 1 1 30 12 34 o 3.1120  0.7641 -0.4955000     1.528000  
1 1 1 30 12 35 o 2.2380  0.6389 -0.9371000     1.278000  
1 1 1 30 12 36 o 2.4030  0.6339 1.375000       1.268000  
1 1 1 30 12 37 o 2.4370  0.6761 0.4423000E-02  1.352000  
1 1 1 30 12 38 o 2.4380  0.6473 1.124000       1.295000  
1 1 1 30 12 39 o 2.8080  0.6799 0.7312000      1.360000  
1 1 1 30 12 40 o 2.3100  0.6505 -0.7361000     1.301000  
1 1 1 30 13 0  o 2.2400  1.2770 0.000000       0.000000  
1 1 1 30 13 1  o 4.4810  0.6804 -1.205000      1.361000  
1 1 1 30 13 2  o 3.2870  0.7158 0.2215000      1.432000  
1 1 1 30 13 3  o 1.9250  0.6139 0.2600000      1.228000  
1 1 1 30 13 4  o 5.8230  0.5266 -1.119000      1.053000  
1 1 1 30 13 5  o 2.6210  0.7273 0.1499000      1.455000  
1 1 1 30 13 6  o 2.3180  0.6590 -0.9464000     1.318000  
1 1 1 30 13 7  o 2.5940  0.6966 0.9602000      1.393000  
1 1 1 30 13 8  o 6.5950  0.4628 1.132000       0.9257000 
1 1 1 30 13 9  o 2.5560  0.6985 0.7845000      1.397000  
1 1 1 30 13 10 o 2.6450  0.7346 -0.1642000     1.469000  
1 1 1 30 13 11 o 3.5500  0.6705 1.657000       1.341000  
1 1 1 30 13 12 o 3.7370  0.6841 0.9069000      1.368000  
1 1 1 30 13 13 o 3.2240  0.6666 1.858000       1.333000  
1 1 1 30 13 14 f 4.2800  0.5983 1.745000       1.197000  
1 1 1 30 13 15 o 5.1410  0.4995 -0.5185000     0.9990000 
1 1 1 30 13 16 o 1.7770  0.5737 0.5787000      1.147000  
1 1 1 30 13 17 o 5.4360  0.4913 -1.917000      0.9826000 
1 1 1 30 13 18 o 4.4370  0.5820 -0.4709000     1.164000  
1 1 1 30 13 19 o 2.2500  0.6723 -0.5651000     1.345000  
1 1 1 30 13 20 o 3.9070  0.6994 1.192000       1.399000  
1 1 1 30 13 21 o 3.8060  0.7570 0.7642000      1.514000  
1 1 1 30 13 22 o 5.5510  0.5213 0.5982000      1.043000  
1 1 1 30 13 23 o 2.6730  0.7298 0.4712000      1.460000  
1 1 1 30 13 24 o 2.9600  0.7292 -0.9543000     1.458000  
1 1 1 30 13 25 o 2.3010  0.6121 1.430000       1.224000  
1 1 1 30 13 26 o 5.6060  0.4267 0.2264000E-01  0.8535000 
1 1 1 30 13 27 o 2.1260  0.6373 -0.8740000     1.275000  
1 1 1 30 13 28 o 2.4050  0.6571 0.9217000      1.314000  
1 1 1 30 13 29 o 2.1280  0.6710 0.8316000      1.342000  
1 1 1 30 13 30 o 3.8490  0.8223 -0.8724000     1.645000  
1 1 1 30 13 31 o 3.4000  0.7383 -1.300000      1.477000  
1 1 1 30 13 32 o 4.1850  0.7346 0.3827000      1.469000  
1 1 1 30 13 33 o 3.5760  0.6354 -1.481000      1.271000  
1 1 1 30 13 34 o 2.9740  0.6728 -0.9711000     1.346000  
1 1 1 30 13 35 o 5.1620  0.5247 -0.3181000     1.049000  
1 1 1 30 13 36 o 4.7910  0.6369 -3.642000      1.274000  
1 1 1 30 13 37 o 2.1890  0.6414 0.4892000      1.283000  
1 1 1 30 13 38 o 3.4960  0.6633 -0.7125000     1.327000  
1 1 1 30 13 39 o 4.8150  0.6722 1.467000       1.344000  
1 1 1 30 14 0  o 2.0240  1.2440 0.000000       0.000000  
1 1 1 30 14 1  f 9.6920  0.3355 -1.064000      0.6710000 
1 1 1 30 14 2  o 3.2820  0.6456 2.460000       1.291000  
1 1 1 30 14 3  o 7.0520  0.3527 -0.2546000     0.7053000 
1 1 1 30 14 4  o 3.5370  0.6711 1.022000       1.342000  
1 1 1 30 14 5  o 3.2380  0.6944 0.4583000      1.389000  
1 1 1 30 14 6  o 3.2530  0.6345 1.595000       1.269000  
1 1 1 30 14 7  o 3.9730  0.6431 -0.5681000E-01 1.286000  
1 1 1 30 14 8  o 5.5680  0.4960 -0.4080000     0.9920000 
1 1 1 30 14 9  o 3.4180  0.6771 -1.316000      1.354000  
1 1 1 30 14 10 o 4.2670  0.5896 1.226000       1.179000  
1 1 1 30 14 11 o 3.9200  0.6277 0.4244000      1.255000  
1 1 1 30 14 12 o 4.6930  0.5363 0.5879000      1.073000  
1 1 1 30 14 13 o 3.7000  0.6486 -0.1890000     1.297000  
1 1 1 30 14 14 o 2.3540  0.6662 -0.7242000E-01 1.332000  
1 1 1 30 14 15 o 8.1030  0.3258 0.1196000      0.6517000 
1 1 1 30 14 16 o 6.1790  0.4108 0.2107000      0.8216000 
1 1 1 30 14 17 o 4.0260  0.6142 -1.969000      1.228000  
1 1 1 30 14 18 f 4.4570  0.6662 0.9166000      1.332000  
1 1 1 30 14 19 o 3.8800  0.6915 -2.119000      1.383000  
1 1 1 30 14 20 o 2.5010  0.6921 1.000000       1.384000  
1 1 1 30 14 21 o 3.7230  0.6016 -2.976000      1.203000  
1 1 1 30 14 22 o 1.4320  0.4981 0.1544000      0.9961000 
1 1 1 30 14 23 o 2.3720  0.7169 -0.1891000     1.434000  
1 1 1 30 14 24 o 3.2110  0.7071 0.8484000      1.414000  
1 1 1 30 14 25 o 5.1670  0.5118 0.5104000      1.024000  
1 1 1 30 14 26 o 5.1910  0.4932 -0.1459000     0.9865000 
1 1 1 30 14 27 o 6.8500  0.3548 0.4879000      0.7096000 
1 1 1 30 14 28 o 2.5080  0.7059 -0.8104000     1.412000  
1 1 1 30 14 29 o 3.9470  0.7426 -0.2088000     1.485000  
1 1 1 30 14 30 o 2.1790  0.6811 0.4654000      1.362000  
1 1 1 30 14 31 o 6.0050  0.4242 -0.3699000     0.8484000 
1 1 1 30 14 32 o 2.0110  0.6006 -0.9571000     1.201000  
1 1 1 30 14 33 o 2.5330  0.6537 -0.7286000     1.307000  
1 1 1 30 14 34 o 3.7780  0.5997 1.798000       1.199000  
1 1 1 30 14 35 o 3.5380  0.6101 -0.2541000     1.220000  
1 1 1 30 14 36 o 4.0940  0.6036 0.2945000      1.207000  
1 1 1 30 14 37 o 2.6790  0.6232 0.9036000      1.246000  
1 1 1 30 15 0  o 2.3170  1.2790 0.000000       0.000000  
1 1 1 30 15 1  o 6.1250  0.5879 0.2654000      1.176000  
1 1 1 30 15 2  o 4.5560  0.6210 0.2760000      1.242000  
1 1 1 30 15 3  o 2.8410  0.6909 -0.4909000     1.382000  
1 1 1 30 15 4  o 5.1320  0.5558 0.6017000      1.112000  
1 1 1 30 15 5  o 4.3150  0.6270 -1.549000      1.254000  
1 1 1 30 15 6  o 6.9600  0.4045 -0.3303000     0.8091000 
1 1 1 30 15 7  o 4.1680  0.5763 0.2742000      1.153000  
1 1 1 30 15 8  o 2.8900  0.6719 0.7994000E-01  1.344000  
1 1 1 30 15 9  o 3.5450  0.6171 1.014000       1.234000  
1 1 1 30 15 10 o 2.5410  0.6371 0.8393000      1.274000  
1 1 1 30 15 11 o 2.1010  0.6182 -0.7716000     1.236000  
1 1 1 30 15 12 o 3.1530  0.6546 0.1162000      1.309000  
1 1 1 30 15 13 o 3.1610  0.6422 0.8584000      1.284000  
1 1 1 30 15 14 o 2.4610  0.6169 -1.752000      1.234000  
1 1 1 30 15 15 o 4.8240  0.4979 -1.158000      0.9957000 
1 1 1 30 15 16 o 2.6190  0.6218 1.866000       1.244000  
1 1 1 30 15 17 o 2.6070  0.5661 1.948000       1.132000  
1 1 1 30 15 18 o 5.5620  0.5323 0.6604000      1.065000  
1 1 1 30 15 19 o 1.7060  0.5629 -0.3642000E-01 1.126000  
1 1 1 30 15 20 o 3.3820  0.6751 0.1462000      1.350000  
1 1 1 30 15 21 o 4.2280  0.5976 -2.951000      1.195000  
1 1 1 30 15 22 o 3.1470  0.7846 -1.297000      1.569000  
1 1 1 30 15 23 o 2.3490  0.6789 0.4344000      1.358000  
1 1 1 30 15 24 o 1.7920  0.5765 -0.2900000     1.153000  
1 1 1 30 15 25 o 5.7850  0.4261 0.9651000      0.8521000 
1 1 1 30 15 26 f 4.8440  0.5296 1.836000       1.059000  
1 1 1 30 15 27 o 2.5620  0.6693 0.9124000      1.339000  
1 1 1 30 15 28 o 2.4450  0.6560 0.9073000      1.312000  
1 1 1 30 15 29 o 3.6630  0.7432 -0.1742000     1.486000  
1 1 1 30 15 30 o 6.4220  0.3863 -0.6705000     0.7726000 
1 1 1 30 15 31 o 2.7410  0.6481 -0.8565000     1.296000  
1 1 1 30 15 32 o 3.0880  0.5800 1.694000       1.160000  
1 1 1 30 15 33 o 5.4440  0.4359 0.2722000      0.8719000 
1 1 1 30 15 34 o 4.4470  0.5296 -1.889000      1.059000  
1 1 1 30 15 35 o 2.2840  0.6188 0.5988000      1.238000  
1 1 1 30 15 36 o 1.7080  0.5507 -0.1326000     1.101000  
1 1 1 30 16 0  o 2.4270  1.2150 0.000000       0.000000  
1 1 1 30 16 1  o 5.5530  0.5813 -1.785000      1.163000  
1 1 1 30 16 2  o 2.1770  0.6399 -0.1520000     1.280000  
1 1 1 30 16 3  o 2.5810  0.6470 -0.6663000     1.294000  
1 1 1 30 16 4  o 1.9630  0.6046 0.2351000      1.209000  
1 1 1 30 16 5  o 2.3190  0.6756 -0.1443000     1.351000  
1 1 1 30 16 6  o 6.9550  0.4090 0.3838000      0.8180000 
1 1 1 30 16 7  o 3.9510  0.5972 -0.6251000     1.194000  
1 1 1 30 16 8  o 3.7470  0.6145 -0.2569000     1.229000  
1 1 1 30 16 9  o 3.4450  0.6289 -1.298000      1.258000  
1 1 1 30 16 10 o 3.8040  0.6046 0.7097000      1.209000  
1 1 1 30 16 11 o 3.7020  0.6131 0.7822000      1.226000  
1 1 1 30 16 12 o 7.2520  0.3549 -0.3774000     0.7098000 
1 1 1 30 16 13 o 2.2380  0.6383 0.9717000E-01  1.277000  
1 1 1 30 16 14 o 2.1840  0.6272 0.9339000      1.254000  
1 1 1 30 16 15 o 1.9150  0.5971 -0.7939000     1.194000  
1 1 1 30 16 16 o 2.2380  0.6645 0.1601000      1.329000  
1 1 1 30 16 17 o 2.7630  0.6545 0.6215000      1.309000  
1 1 1 30 16 18 o 2.7690  0.6872 -0.1413000     1.374000  
1 1 1 30 16 19 o 2.8290  0.6886 -0.5794000     1.377000  
1 1 1 30 16 20 o 5.6400  0.5247 1.019000       1.049000  
1 1 1 30 16 21 o 2.9740  0.6997 0.7648000      1.399000  
1 1 1 30 16 22 o 3.1480  0.6947 1.326000       1.389000  
1 1 1 30 16 23 o 5.8770  0.4781 1.405000       0.9561000 
1 1 1 30 16 24 o 3.2630  0.5630 2.344000       1.126000  
1 1 1 30 16 25 o 2.6820  0.6653 0.2447000E-01  1.331000  
1 1 1 30 16 26 o 5.4470  0.4330 0.5657000E-01  0.8659000 
1 1 1 30 16 27 o 2.0110  0.6122 -0.8642000     1.224000  
1 1 1 30 16 28 o 5.5380  0.4537 0.2247000      0.9073000 
1 1 1 30 16 29 o 3.9990  0.5787 1.411000       1.157000  
1 1 1 30 16 30 o 1.9020  0.5705 0.4320000      1.141000  
1 1 1 30 16 31 o 2.7390  0.6404 0.8280000      1.281000  
1 1 1 30 16 32 o 4.0890  0.5882 2.545000       1.176000  
1 1 1 30 16 33 o 4.6860  0.4953 0.6596000      0.9906000 
1 1 1 30 16 34 o 1.8110  0.5581 0.3795000      1.116000  
1 1 1 30 17 0  f 1.0660  0.7464 0.000000       0.000000  
1 1 1 30 17 1  o 2.4310  0.6440 1.436000       1.288000  
1 1 1 30 17 2  o 2.6750  0.7017 1.624000       1.403000  
1 1 1 30 17 3  o 2.9090  0.6791 -0.2441000     1.358000  
1 1 1 30 17 4  o 2.3250  0.6132 1.098000       1.226000  
1 1 1 30 17 5  o 5.2760  0.5350 0.8156000      1.070000  
1 1 1 30 17 6  o 3.1870  0.6780 0.8563000      1.356000  
1 1 1 30 17 7  o 3.0740  0.5753 2.152000       1.151000  
1 1 1 30 17 8  o 3.0010  0.6728 -0.2840000E-01 1.346000  
1 1 1 30 17 9  o 3.6190  0.6283 0.4878000      1.257000  
1 1 1 30 17 10 o 2.6330  0.6460 -1.329000      1.292000  
1 1 1 30 17 11 o 4.8130  0.5438 0.4532000      1.088000  
1 1 1 30 17 12 o 1.9100  0.5936 0.9930000E-01  1.187000  
1 1 1 30 17 13 o 5.5770  0.5165 3.054000       1.033000  
1 1 1 30 17 14 o 3.5580  0.6436 -0.7071000     1.287000  
1 1 1 30 17 15 o 4.3760  0.6179 -0.9373000     1.236000  
1 1 1 30 17 16 o 3.4010  0.6156 1.244000       1.231000  
1 1 1 30 17 17 o 1.8730  0.5789 0.4004000      1.158000  
1 1 1 30 17 18 o 2.5910  0.6818 0.1974000      1.364000  
1 1 1 30 17 19 o 2.6070  0.6797 -0.8686000     1.359000  
1 1 1 30 17 20 o 4.4700  0.6204 0.9908000      1.241000  
1 1 1 30 17 21 o 3.7940  0.7656 -0.7380000     1.531000  
1 1 1 30 17 22 o 3.3460  0.7403 -1.054000      1.481000  
1 1 1 30 17 23 o 7.8380  0.3502 0.4056000      0.7005000 
1 1 1 30 17 24 o 2.3060  0.6505 -0.1901000     1.301000  
1 1 1 30 17 25 o 6.1280  0.4165 1.546000       0.8329000 
1 1 1 30 17 26 o 7.2560  0.3644 0.6704000E-01  0.7288000 
1 1 1 30 17 27 o 4.9670  0.5161 -0.1565000     1.032000  
1 1 1 30 17 28 o 3.9310  0.5907 0.6592000      1.181000  
1 1 1 30 17 29 o 2.8270  0.6075 1.115000       1.215000  
1 1 1 30 17 30 o 1.7630  0.5566 0.1480000      1.113000  
1 1 1 30 17 31 o 3.0640  0.5387 2.372000       1.077000  
1 1 1 30 17 32 o 2.8450  0.6141 1.235000       1.228000  
1 1 1 30 18 0  o 1.2620  0.8454 0.000000       0.000000  
1 1 1 30 18 1  o 3.4960  0.6197 -0.1521000     1.239000  
1 1 1 30 18 2  o 3.6560  0.7167 1.204000       1.433000  
1 1 1 30 18 3  o 3.8300  0.6553 -2.064000      1.311000  
1 1 1 30 18 4  o 1.8990  0.5945 -0.2195000     1.189000  
1 1 1 30 18 5  o 2.9500  0.7041 -1.280000      1.408000  
1 1 1 30 18 6  o 2.5380  0.6980 -1.061000      1.396000  
1 1 1 30 18 7  o 3.2000  0.6553 1.358000       1.311000  
1 1 1 30 18 8  o 4.4310  0.5480 -1.728000      1.096000  
1 1 1 30 18 9  o 1.8350  0.5848 -0.8699000E-01 1.170000  
1 1 1 30 18 10 o 5.8080  0.4459 -0.3638000     0.8918000 
1 1 1 30 18 11 o 2.0660  0.6329 -0.2932000     1.266000  
1 1 1 30 18 12 o 2.7550  0.6697 -0.7908000     1.339000  
1 1 1 30 18 13 o 2.3930  0.6939 -0.8451000     1.388000  
1 1 1 30 18 14 o 6.5920  0.3654 -1.172000      0.7309000 
1 1 1 30 18 15 o 2.0410  0.6125 0.2633000      1.225000  
1 1 1 30 18 16 o 2.8740  0.6601 -1.210000      1.320000  
1 1 1 30 18 17 o 2.1620  0.6332 0.5934000      1.266000  
1 1 1 30 18 18 o 2.8930  0.6938 0.2750000      1.388000  
1 1 1 30 18 19 o 4.0130  0.6414 0.5743000      1.283000  
1 1 1 30 18 20 o 3.2220  0.7582 -0.3750000E-01 1.516000  
1 1 1 30 18 21 o 2.9550  0.6788 0.7167000      1.358000  
1 1 1 30 18 22 o 3.1370  0.6977 -0.9545000     1.395000  
1 1 1 30 18 23 o 2.5880  0.6851 -0.7429000     1.370000  
1 1 1 30 18 24 o 4.3140  0.6111 1.946000       1.222000  
1 1 1 30 18 25 o 1.9140  0.6002 -0.5127000     1.200000  
1 1 1 30 18 26 o 2.3930  0.6360 1.139000       1.272000  
1 1 1 30 18 27 o 2.9370  0.6918 -0.7559000     1.384000  
1 1 1 30 18 28 o 4.3120  0.5832 0.7763000      1.166000  
1 1 1 30 18 29 o 2.8590  0.6546 0.2451000      1.309000  
1 1 1 30 18 30 o 2.4410  0.6412 0.7670000      1.282000  
1 1 1 30 19 0  o 5.2260  0.6127 0.000000       0.000000  
1 1 1 30 19 1  o 5.8810  0.4138 -1.699000      0.8277000 
1 1 1 30 19 2  o 5.0720  0.5144 0.3668000      1.029000  
1 1 1 30 19 3  o 5.0270  0.5821 0.4277000      1.164000  
1 1 1 30 19 4  o 3.1370  0.6690 1.604000       1.338000  
1 1 1 30 19 5  o 1.7750  0.5716 0.1889000      1.143000  
1 1 1 30 19 6  o 3.2140  0.7048 -1.565000      1.410000  
1 1 1 30 19 7  o 6.0830  0.4574 -0.5710000     0.9149000 
1 1 1 30 19 8  o 3.3830  0.6773 1.195000       1.355000  
1 1 1 30 19 9  o 3.3230  0.6648 -1.078000      1.330000  
1 1 1 30 19 10 o 6.9510  0.3854 0.7906000      0.7708000 
1 1 1 30 19 11 o 3.2330  0.7348 -0.4737000     1.470000  
1 1 1 30 19 12 o 4.7070  0.5202 -0.4553000     1.040000  
1 1 1 30 19 13 o 6.1520  0.4055 0.6259000      0.8109000 
1 1 1 30 19 14 o 6.5120  0.3747 0.3031000E-01  0.7494000 
1 1 1 30 19 15 o 4.3200  0.5608 0.3536000      1.122000  
1 1 1 30 19 16 o 6.0050  0.4224 0.6587000E-01  0.8449000 
1 1 1 30 19 17 o 3.0430  0.6090 2.058000       1.218000  
1 1 1 30 19 18 o 2.7200  0.6980 -1.029000      1.396000  
1 1 1 30 19 19 o 1.7250  0.5833 -0.2849000     1.167000  
1 1 1 30 19 20 o 3.3590  0.7012 -0.8696000     1.402000  
1 1 1 30 19 21 o 3.0430  0.6173 -2.090000      1.235000  
1 1 1 30 19 22 o 3.0080  0.5989 1.632000       1.198000  
1 1 1 30 19 23 o 3.4820  0.6893 -0.6614000     1.379000  
1 1 1 30 19 24 o 1.8040  0.5861 0.4391000      1.172000  
1 1 1 30 19 25 o 2.4250  0.6677 0.1539000      1.335000  
1 1 1 30 19 26 o 3.5650  0.6411 0.5200000      1.282000  
1 1 1 30 19 27 o 3.1280  0.6510 1.123000       1.302000  
1 1 1 30 19 28 o 2.2180  0.6362 0.5152000      1.272000  
1 1 1 30 20 0  o 4.8940  0.7705 0.000000       0.000000  
1 1 1 30 20 1  o 5.8300  0.4344 0.2751000      0.8688000 
1 1 1 30 20 2  o 3.7830  0.6172 0.4962000      1.234000  
1 1 1 30 20 3  o 4.0380  0.6610 -2.147000      1.322000  
1 1 1 30 20 4  o 7.5910  0.4113 -0.7311000     0.8227000 
1 1 1 30 20 5  o 5.4780  0.4778 -0.6885000     0.9556000 
1 1 1 30 20 6  o 2.1000  0.6259 0.5885000      1.252000  
1 1 1 30 20 7  o 3.1540  0.7606 -0.3628000     1.521000  
1 1 1 30 20 8  o 5.5020  0.5544 -0.9117000     1.109000  
1 1 1 30 20 9  o 1.9820  0.5865 0.8776000      1.173000  
1 1 1 30 20 10 o 2.4620  0.6831 0.3024000      1.366000  
1 1 1 30 20 11 o 3.1170  0.6242 1.459000       1.248000  
1 1 1 30 20 12 o 1.9920  0.6124 -0.2304000     1.225000  
1 1 1 30 20 13 o 2.0370  0.5735 1.186000       1.147000  
1 1 1 30 20 14 o 3.3030  0.6626 -0.7368000     1.325000  
1 1 1 30 20 15 o 2.6580  0.6877 0.2429000      1.375000  
1 1 1 30 20 16 o 1.6460  0.5502 -0.2390000     1.100000  
1 1 1 30 20 17 o 1.8730  0.6055 -0.5936000     1.211000  
1 1 1 30 20 18 o 2.0970  0.6419 0.3056000      1.284000  
1 1 1 30 20 19 o 3.6790  0.6834 -1.265000      1.367000  
1 1 1 30 20 20 o 2.7160  0.6575 0.6661000      1.315000  
1 1 1 30 20 21 o 2.0710  0.6229 -0.8088000     1.246000  
1 1 1 30 20 22 o 2.3970  0.6623 -0.4434000     1.325000  
1 1 1 30 20 23 o 2.8440  0.6875 1.082000       1.375000  
1 1 1 30 20 24 o 2.6630  0.6828 0.9932000      1.366000  
1 1 1 30 20 25 o 1.7390  0.5596 -0.3603000     1.119000  
1 1 1 30 21 0  o 5.8450  0.6185 0.000000       0.000000  
1 1 1 30 21 1  o 2.4110  0.6573 0.8349000      1.315000  
1 1 1 30 21 2  o 5.5790  0.4554 0.3496000      0.9108000 
1 1 1 30 21 3  o 3.0450  0.6673 0.4936000      1.335000  
1 1 1 30 21 4  o 3.5240  0.7381 -0.1508000     1.476000  
1 1 1 30 21 5  o 2.4550  0.6183 -1.783000      1.237000  
1 1 1 30 21 6  o 2.4840  0.7071 1.090000       1.414000  
1 1 1 30 21 7  o 5.0680  0.5688 -0.2289000     1.138000  
1 1 1 30 21 8  o 2.3870  0.6517 0.8171000      1.303000  
1 1 1 30 21 9  o 2.4550  0.6107 1.388000       1.221000  
1 1 1 30 21 10 o 2.6470  0.6711 0.2861000      1.342000  
1 1 1 30 21 11 o 2.5330  0.6471 0.8010000      1.294000  
1 1 1 30 21 12 o 2.4460  0.6660 -0.2568000E-01 1.332000  
1 1 1 30 21 13 o 6.3060  0.3875 -0.4073000     0.7749000 
1 1 1 30 21 14 o 4.5260  0.5823 0.9343000      1.165000  
1 1 1 30 21 15 f 2.2200  0.6509 -0.7141000     1.302000  
1 1 1 30 21 16 o 4.2990  0.6305 -0.4763000     1.261000  
1 1 1 30 21 17 o 2.7230  0.7546 -0.6321000     1.509000  
1 1 1 30 21 18 o 2.9310  0.7078 -1.198000      1.416000  
1 1 1 30 21 19 o 3.1760  0.6441 1.038000       1.288000  
1 1 1 30 21 20 o 1.9150  0.5976 -0.8610000     1.195000  
1 1 1 30 21 21 o 3.3910  0.6429 0.9574000      1.286000  
1 1 1 30 21 22 o 4.3720  0.5617 0.2802000E-01  1.123000  
1 1 1 30 22 0  o 3.0000  1.1800 0.000000       0.000000  
1 1 1 30 22 1  o 2.9700  0.6967 -0.8489000E-01 1.393000  
1 1 1 30 22 2  o 5.4520  0.4819 -1.480000      0.9638000 
1 1 1 30 22 3  o 2.3800  0.6671 -0.4006000     1.334000  
1 1 1 30 22 4  o 1.7300  0.5714 -0.1144000     1.143000  
1 1 1 30 22 5  o 2.0190  0.6418 -0.1576000     1.284000  
1 1 1 30 22 6  o 2.4580  0.7172 1.099000       1.434000  
1 1 1 30 22 7  o 2.8610  0.6836 -0.6228000     1.367000  
1 1 1 30 22 8  o 2.4110  0.6950 -0.3621000     1.390000  
1 1 1 30 22 9  o 2.1960  0.6557 0.2384000      1.311000  
1 1 1 30 22 10 o 2.1590  0.6370 0.6193000E-01  1.274000  
1 1 1 30 22 11 o 2.3510  0.6262 -1.496000      1.252000  
1 1 1 30 22 12 o 2.2170  0.6448 -0.1973000     1.290000  
1 1 1 30 22 13 o 3.4430  0.6656 1.340000       1.331000  
1 1 1 30 22 14 o 2.0830  0.6389 -0.1102000     1.278000  
1 1 1 30 22 15 o 2.7420  0.6475 1.310000       1.295000  
1 1 1 30 22 16 o 5.8870  0.5388 -1.040000      1.078000  
1 1 1 30 22 17 o 3.7400  0.6897 0.1781000      1.379000  
1 1 1 30 22 18 f 2.3070  0.6490 -0.9899000     1.298000  
1 1 1 30 23 0  o 4.0320  1.0020 0.000000       0.000000  
1 1 1 30 23 1  o 3.8050  0.6572 -0.1428000     1.314000  
1 1 1 30 23 2  o 2.8910  0.6764 1.240000       1.353000  
1 1 1 30 23 3  o 3.3160  0.7466 -1.170000      1.493000  
1 1 1 30 23 4  o 2.7110  0.6532 1.539000       1.306000  
1 1 1 30 23 5  o 1.9530  0.6241 0.3904000      1.248000  
1 1 1 30 23 6  o 2.3130  0.6927 -0.1985000     1.385000  
1 1 1 30 23 7  o 1.9680  0.6157 -0.8563000     1.231000  
1 1 1 30 23 8  o 2.4540  0.6698 0.2741000      1.340000  
1 1 1 30 23 9  f 3.7090  0.7120 -1.458000      1.424000  
1 1 1 30 23 10 o 1.6810  0.5695 -0.2268000     1.139000  
1 1 1 30 23 11 o 1.5460  0.5246 -0.1797000     1.049000  
1 1 1 30 23 12 o 2.1670  0.6308 0.9611000      1.262000  
1 1 1 30 23 13 o 2.4280  0.6832 0.1957000      1.366000  
1 1 1 30 24 0  o 2.0760  1.1630 0.000000       0.000000  
1 1 1 30 24 1  o 2.0790  0.6620 -0.3799000     1.324000  
1 1 1 30 24 2  o 3.5230  0.6503 2.154000       1.301000  
1 1 1 30 24 3  o 2.3950  0.7648 -1.133000      1.530000  
1 1 1 31 0  1  f 9.0890  0.4030 0.000000       0.000000  
1 1 1 31 0  2  o 5.3640  0.6552 0.000000       0.000000  
1 1 1 31 0  3  o 4.4330  0.8437 0.000000       0.000000  
1 1 1 31 0  4  o 1.3320  0.8901 0.000000       0.000000  
1 1 1 31 0  5  o 4.8110  0.7375 0.000000       0.000000  
1 1 1 31 0  6  o 1.4900  0.9561 0.000000       0.000000  
1 1 1 31 0  7  o 2.5160  1.2390 0.000000       0.000000  
1 1 1 31 0  8  o 5.2640  0.7865 0.000000       0.000000  
1 1 1 31 0  9  o 15.790  0.3225 0.000000       0.000000  
1 1 1 31 0  10 o 1.3750  0.9298 0.000000       0.000000  
1 1 1 31 0  11 o 5.4820  0.9832 0.000000       0.000000  
1 1 1 31 0  12 o 3.3850  1.2430 0.000000       0.000000  
1 1 1 31 0  13 f 2.0100  1.2290 0.000000       0.000000  
1 1 1 31 0  14 o 16.360  0.3333 0.000000       0.000000  
1 1 1 31 0  15 o 5.4560  0.9377 0.000000       0.000000  
1 1 1 31 0  16 o 10.280  0.5103 0.000000       0.000000  
1 1 1 31 0  17 o 1.3840  0.9566 0.000000       0.000000  
1 1 1 31 0  18 f 1.7090  1.1100 0.000000       0.000000  
1 1 1 31 0  19 o 3.1310  1.6350 0.000000       0.000000  
1 1 1 31 0  20 o 9.8790  0.7841 0.000000       0.000000  
1 1 1 31 0  21 o 3.2500  1.6500 0.000000       0.000000  
1 1 1 31 0  22 o 2.4630  1.3420 0.000000       0.000000  
1 1 1 31 0  23 o 5.8200  0.8512 0.000000       0.000000  
1 1 1 31 0  24 o 1.9350  1.1900 0.000000       0.000000  
1 1 1 31 0  25 o 1.6440  1.0760 0.000000       0.000000  
1 1 1 31 0  26 o 0.9569  0.6935 0.000000       0.000000  
1 1 1 31 0  27 o 2.3780  1.2140 0.000000       0.000000  
1 1 1 31 0  28 o 9.6770  0.4412 0.000000       0.000000  
1 1 1 31 0  29 o 2.6380  1.2460 0.000000       0.000000  
1 1 1 31 0  30 o 2.7690  1.2410 0.000000       0.000000  
1 1 1 31 0  31 o 5.8580  0.6746 0.000000       0.000000  
1 1 1 31 0  32 o 2.1330  1.1680 0.000000       0.000000  
1 1 1 31 0  33 o 2.1920  1.1690 0.000000       0.000000  
1 1 1 31 0  34 o 1.4790  0.9712 0.000000       0.000000  
1 1 1 31 0  35 o 1.8880  1.1140 0.000000       0.000000  
1 1 1 31 0  36 o 8.3500  0.4844 0.000000       0.000000  
1 1 1 31 0  37 o 4.9130  1.0740 0.000000       0.000000  
1 1 1 31 0  38 o 2.1130  1.1780 0.000000       0.000000  
1 1 1 31 0  39 o 2.0390  1.1610 0.000000       0.000000  
1 1 1 31 0  40 o 4.4340  1.2400 0.000000       0.000000  
1 1 1 31 0  41 o 1.3400  0.9073 0.000000       0.000000  
1 1 1 31 0  42 o 6.1890  0.6490 0.000000       0.000000  
1 1 1 31 0  43 o 5.6900  0.7118 0.000000       0.000000  
1 1 1 31 1  0  o 4.6190  0.7980 0.000000       0.000000  
1 1 1 31 1  1  o 3.9700  0.6062 0.3721000      1.212000  
1 1 1 31 1  2  o 2.9400  0.6647 -0.8992000     1.329000  
1 1 1 31 1  3  o 5.4300  0.4511 0.9884000      0.9022000 
1 1 1 31 1  4  o 6.9290  0.3522 -0.1096000     0.7044000 
1 1 1 31 1  5  o 5.5850  0.4598 0.4140000      0.9195000 
1 1 1 31 1  6  o 6.5260  0.3965 0.1541000      0.7929000 
1 1 1 31 1  7  o 6.7790  0.3855 0.4354000      0.7711000 
1 1 1 31 1  8  o 2.2740  0.6721 -0.6791000     1.344000  
1 1 1 31 1  9  o 9.9880  0.3037 -0.7741000     0.6075000 
1 1 1 31 1  10 o 4.0210  0.7399 -0.4060000     1.480000  
1 1 1 31 1  11 o 5.8340  0.5695 -1.237000      1.139000  
1 1 1 31 1  12 o 8.1330  0.5096 -0.3027000     1.019000  
1 1 1 31 1  13 o 4.4370  0.7825 3.260000       1.565000  
1 1 1 31 1  14 o 6.4510  0.5442 0.7620000      1.088000  
1 1 1 31 1  15 o 5.6370  0.6189 0.1628000      1.238000  
1 1 1 31 1  16 o 5.6330  0.5537 0.6075000      1.107000  
1 1 1 31 1  17 o 7.7530  0.4140 0.8288000      0.8279000 
1 1 1 31 1  18 o 8.5450  0.3988 -0.9414000E-01 0.7975000 
1 1 1 31 1  19 o 10.580  0.4149 -0.7596000     0.8298000 
1 1 1 31 1  20 o 3.2230  0.8802 -0.6547000     1.760000  
1 1 1 31 1  21 o 3.7470  0.7540 2.430000       1.508000  
1 1 1 31 1  22 o 5.4280  0.5833 -1.495000      1.167000  
1 1 1 31 1  23 o 3.7540  0.7962 -0.7801000E-01 1.592000  
1 1 1 31 1  24 o 5.8770  0.6901 0.7701000      1.380000  
1 1 1 31 1  25 f 3.3430  0.7154 2.328000       1.431000  
1 1 1 31 1  26 o 5.2350  0.5807 -0.9630000     1.161000  
1 1 1 31 1  27 o 2.0150  0.6421 0.2013000      1.284000  
1 1 1 31 1  28 o 3.6550  0.7502 -0.3582000     1.500000  
1 1 1 31 1  29 f 3.0160  0.7592 -0.1850000     1.518000  
1 1 1 31 1  30 o 5.7450  0.5409 0.6436000      1.082000  
1 1 1 31 1  31 o 3.6190  0.7297 -1.118000      1.459000  
1 1 1 31 1  32 f 2.8900  0.7507 -0.4477000     1.501000  
1 1 1 31 1  33 o 5.3180  0.5765 0.8849000      1.153000  
1 1 1 31 1  34 o 3.2600  0.7466 0.3557000      1.493000  
1 1 1 31 1  35 o 4.0010  0.7195 0.1007000      1.439000  
1 1 1 31 1  36 o 1.8100  0.6105 -0.3372000     1.221000  
1 1 1 31 1  37 o 2.8620  0.7451 0.3333000      1.490000  
1 1 1 31 1  38 o 2.9600  0.7547 0.2881000      1.509000  
1 1 1 31 1  39 f 2.9260  0.6823 1.726000       1.365000  
1 1 1 31 1  40 o 3.0090  0.6338 2.177000       1.268000  
1 1 1 31 1  41 o 1.9430  0.6055 0.1781000      1.211000  
1 1 1 31 1  42 o 3.3500  0.6570 -2.036000      1.314000  
1 1 1 31 1  43 o 1.9110  0.6114 0.5168000      1.223000  
1 1 1 31 2  0  o 10.050  0.4306 0.000000       0.000000  
1 1 1 31 2  1  o 3.7550  0.5998 -2.133000      1.200000  
1 1 1 31 2  2  o 2.2980  0.6449 0.5273000      1.290000  
1 1 1 31 2  3  o 7.0700  0.3737 0.4644000      0.7475000 
1 1 1 31 2  4  o 6.3110  0.4099 0.3470000E-01  0.8198000 
1 1 1 31 2  5  o 6.2060  0.4300 1.962000       0.8600000 
1 1 1 31 2  6  o 6.6750  0.3900 0.3641000      0.7800000 
1 1 1 31 2  7  o 5.4650  0.4764 0.3668000      0.9527000 
1 1 1 31 2  8  o 8.0510  0.3669 -1.434000      0.7337000 
1 1 1 31 2  9  o 4.2380  0.6254 -2.342000      1.251000  
1 1 1 31 2  10 o 6.9700  0.5707 -0.3956000     1.141000  
1 1 1 31 2  11 o 3.6870  0.6853 -2.043000      1.371000  
1 1 1 31 2  12 o 4.4420  0.6773 0.9482000      1.355000  
1 1 1 31 2  13 o 3.8680  0.7426 -0.2418000     1.485000  
1 1 1 31 2  14 o 5.5260  0.7116 0.7665000      1.423000  
1 1 1 31 2  15 o 3.4530  0.7022 -1.196000      1.404000  
1 1 1 31 2  16 o 7.7370  0.4189 1.116000       0.8378000 
1 1 1 31 2  17 o 4.1000  0.6679 -1.099000      1.336000  
1 1 1 31 2  18 o 4.3130  0.7057 -0.2161000     1.411000  
1 1 1 31 2  19 o 8.6850  0.4154 0.6185000      0.8307000 
1 1 1 31 2  20 o 4.0360  0.7085 -2.802000      1.417000  
1 1 1 31 2  21 o 2.8760  0.7177 -1.125000      1.435000  
1 1 1 31 2  22 o 2.2000  0.7174 0.1448000      1.435000  
1 1 1 31 2  23 o 2.2510  0.6887 0.3960000      1.377000  
1 1 1 31 2  24 o 4.7070  0.7054 -0.8355000     1.411000  
1 1 1 31 2  25 o 4.1880  0.7605 -1.331000      1.521000  
1 1 1 31 2  26 f 5.8370  0.4769 0.3687000      0.9538000 
1 1 1 31 2  27 o 4.6670  0.5996 0.9594000      1.199000  
1 1 1 31 2  28 o 3.4020  0.6433 2.175000       1.287000  
1 1 1 31 2  29 o 2.6070  0.6980 0.9509000      1.396000  
1 1 1 31 2  30 o 3.1270  0.7547 -0.4872000     1.509000  
1 1 1 31 2  31 o 3.3240  0.7515 -0.4141000     1.503000  
1 1 1 31 2  32 o 2.1800  0.6660 0.3186000      1.332000  
1 1 1 31 2  33 o 3.0240  0.7253 0.8598000      1.451000  
1 1 1 31 2  34 o 5.9380  0.5632 -0.3905000     1.126000  
1 1 1 31 2  35 o 3.0510  0.7900 0.3780000      1.580000  
1 1 1 31 2  36 o 2.4300  0.7139 -0.2487000     1.428000  
1 1 1 31 2  37 o 4.4260  0.6813 -0.4304000     1.363000  
1 1 1 31 2  38 o 4.1220  0.6994 1.336000       1.399000  
1 1 1 31 2  39 o 5.3120  0.6051 0.6810000      1.210000  
1 1 1 31 2  40 o 2.2750  0.6713 -0.5114000     1.343000  
1 1 1 31 2  41 o 1.6090  0.5469 -0.2477000     1.094000  
1 1 1 31 2  42 o 2.5240  0.6991 -0.5175000     1.398000  
1 1 1 31 2  43 o 3.1660  0.7142 -0.8447000     1.428000  
1 1 1 31 3  0  o 10.490  0.3523 0.000000       0.000000  
1 1 1 31 3  1  o 4.3000  0.6010 0.5633000E-01  1.202000  
1 1 1 31 3  2  o 2.7130  0.6615 -1.076000      1.323000  
1 1 1 31 3  3  o 1.8970  0.6058 0.1903000      1.212000  
1 1 1 31 3  4  o 8.0480  0.3328 -0.3823000E-01 0.6657000 
1 1 1 31 3  5  o 4.2160  0.6222 -0.2330000     1.244000  
1 1 1 31 3  6  o 7.7120  0.3566 -0.5566000     0.7133000 
1 1 1 31 3  7  o 10.520  0.2956 -0.9304000     0.5912000 
1 1 1 31 3  8  o 12.640  0.3500 -1.461000      0.7001000 
1 1 1 31 3  9  o 10.910  0.3072 -0.5648000E-01 0.6143000 
1 1 1 31 3  10 o 4.9160  0.5953 3.194000       1.191000  
1 1 1 31 3  11 o 3.9060  0.6758 -1.348000      1.352000  
1 1 1 31 3  12 o 7.4870  0.3839 0.7032000E-01  0.7678000 
1 1 1 31 3  13 o 4.6780  0.6016 -0.3451000     1.203000  
1 1 1 31 3  14 o 8.0400  0.3552 0.4758000      0.7105000 
1 1 1 31 3  15 o 7.5620  0.3750 -0.1939000     0.7501000 
1 1 1 31 3  16 o 1.7320  0.5890 0.5877000      1.178000  
1 1 1 31 3  17 o 4.8380  0.6653 0.5552000E-02  1.331000  
1 1 1 31 3  18 o 9.5040  0.4531 -1.457000      0.9061000 
1 1 1 31 3  19 o 2.4970  0.7068 0.7506000      1.414000  
1 1 1 31 3  20 f 3.0050  0.7720 0.1771000      1.544000  
1 1 1 31 3  21 o 5.4350  0.5947 2.712000       1.189000  
1 1 1 31 3  22 o 5.8600  0.6494 0.3359000      1.299000  
1 1 1 31 3  23 o 4.9200  0.6346 -1.257000      1.269000  
1 1 1 31 3  24 o 5.9510  0.5615 -0.4288000     1.123000  
1 1 1 31 3  25 o 5.2440  0.5834 -0.4920000     1.167000  
1 1 1 31 3  26 o 3.1620  0.7163 0.4940000      1.433000  
1 1 1 31 3  27 o 2.4160  0.6754 0.7582000      1.351000  
1 1 1 31 3  28 o 4.7760  0.5784 0.8263000      1.157000  
1 1 1 31 3  29 o 9.6540  0.3073 1.270000       0.6145000 
1 1 1 31 3  30 o 5.8380  0.4850 0.9945000      0.9700000 
1 1 1 31 3  31 o 2.4270  0.6885 -0.2409000     1.377000  
1 1 1 31 3  32 o 2.5760  0.7001 0.8727000      1.400000  
1 1 1 31 3  33 o 5.0460  0.6664 -1.360000      1.333000  
1 1 1 31 3  34 o 5.5790  0.5830 1.153000       1.166000  
1 1 1 31 3  35 o 2.5780  0.6869 1.138000       1.374000  
1 1 1 31 3  36 o 4.1730  0.7015 0.9006000      1.403000  
1 1 1 31 3  37 o 1.8100  0.6078 -0.5010000     1.216000  
1 1 1 31 3  38 o 4.5200  0.6875 0.6230000      1.375000  
1 1 1 31 3  39 o 3.5870  0.6995 -0.9253000     1.399000  
1 1 1 31 3  40 o 3.4200  0.6862 1.499000       1.372000  
1 1 1 31 3  41 o 3.6500  0.6340 2.488000       1.268000  
1 1 1 31 3  42 o 2.3450  0.6559 0.3080000      1.312000  
1 1 1 31 3  43 o 2.5580  0.6834 -0.2535000     1.367000  
1 1 1 31 4  0  o 9.3670  0.4364 0.000000       0.000000  
1 1 1 31 4  1  o 2.5420  0.6974 -0.5220000     1.395000  
1 1 1 31 4  2  o 9.7120  0.2806 0.1770000E-01  0.5612000 
1 1 1 31 4  3  o 2.8080  0.6406 1.846000       1.281000  
1 1 1 31 4  4  o 6.6370  0.3963 -0.5410000     0.7925000 
1 1 1 31 4  5  o 2.4190  0.6702 1.090000       1.340000  
1 1 1 31 4  6  o 4.3790  0.6849 -0.2625000     1.370000  
1 1 1 31 4  7  o 8.1810  0.5201 -2.048000      1.040000  
1 1 1 31 4  8  o 1.9330  0.6245 -0.8801000E-01 1.249000  
1 1 1 31 4  9  o 2.0990  0.6569 0.1453000      1.314000  
1 1 1 31 4  10 o 2.1480  0.6680 0.4883000      1.336000  
1 1 1 31 4  11 o 6.4680  0.5034 -1.721000      1.007000  
1 1 1 31 4  12 o 9.9060  0.2969 -0.1992000     0.5937000 
1 1 1 31 4  13 o 3.5700  0.6236 -2.510000      1.247000  
1 1 1 31 4  14 o 3.1170  0.7179 0.3019000      1.436000  
1 1 1 31 4  15 o 2.7510  0.6838 1.289000       1.368000  
1 1 1 31 4  16 o 2.1160  0.6660 -0.7870000     1.332000  
1 1 1 31 4  17 o 2.1320  0.6852 -0.1176000     1.370000  
1 1 1 31 4  18 o 7.4940  0.4699 -0.4459000     0.9399000 
1 1 1 31 4  19 o 7.9870  0.4522 2.153000       0.9043000 
1 1 1 31 4  20 o 5.4320  0.5939 0.9826000      1.188000  
1 1 1 31 4  21 o 4.3960  0.7776 -0.9911000     1.555000  
1 1 1 31 4  22 o 3.5080  0.8401 0.5060000      1.680000  
1 1 1 31 4  23 o 4.7630  0.6290 -0.1141000     1.258000  
1 1 1 31 4  24 o 4.1840  0.7141 -2.776000      1.428000  
1 1 1 31 4  25 o 5.4830  0.5785 0.5533000E-01  1.157000  
1 1 1 31 4  26 o 6.4120  0.4611 1.738000       0.9222000 
1 1 1 31 4  27 o 5.5760  0.5120 -2.271000      1.024000  
1 1 1 31 4  28 o 4.2400  0.6285 1.049000       1.257000  
1 1 1 31 4  29 o 2.0280  0.6314 0.5840000      1.263000  
1 1 1 31 4  30 o 4.2390  0.6696 2.143000       1.339000  
1 1 1 31 4  31 o 2.8570  0.7119 1.169000       1.424000  
1 1 1 31 4  32 o 2.6530  0.7286 1.327000       1.457000  
1 1 1 31 4  33 o 3.8080  0.7312 0.9015000      1.462000  
1 1 1 31 4  34 o 3.0350  0.7340 -1.767000      1.468000  
1 1 1 31 4  35 o 3.4170  0.7571 0.5029000      1.514000  
1 1 1 31 4  36 o 2.3920  0.6877 0.7649000      1.375000  
1 1 1 31 4  37 o 3.5670  0.7658 -0.4376000     1.532000  
1 1 1 31 4  38 o 4.7000  0.6831 -0.8297000     1.366000  
1 1 1 31 4  39 o 5.1540  0.5480 0.4149000E-01  1.096000  
1 1 1 31 4  40 o 4.7350  0.6029 0.7833000E-01  1.206000  
1 1 1 31 4  41 o 2.0880  0.6508 0.9512000E-01  1.302000  
1 1 1 31 4  42 o 1.7060  0.5720 -0.2244000     1.144000  
1 1 1 31 4  43 o 4.1620  0.6052 0.5538000      1.210000  
1 1 1 31 5  0  o 1.4140  0.9401 0.000000       0.000000  
1 1 1 31 5  1  o 7.1270  0.3779 0.1333000      0.7559000 
1 1 1 31 5  2  o 5.1370  0.5305 1.072000       1.061000  
1 1 1 31 5  3  o 6.8860  0.3973 0.4608000      0.7946000 
1 1 1 31 5  4  f 2.3100  0.6803 0.2958000E-01  1.361000  
1 1 1 31 5  5  o 7.2070  0.5010 0.4003000      1.002000  
1 1 1 31 5  6  o 3.5170  0.7071 -0.9965000     1.414000  
1 1 1 31 5  7  o 9.2740  0.3369 0.1923000      0.6738000 
1 1 1 31 5  8  o 6.2500  0.4724 0.6779000E-01  0.9449000 
1 1 1 31 5  9  o 9.0890  0.3046 -0.9955000     0.6092000 
1 1 1 31 5  10 o 5.2140  0.4985 -0.5376000     0.9970000 
1 1 1 31 5  11 o 5.7200  0.5030 1.337000       1.006000  
1 1 1 31 5  12 o 3.6530  0.6792 1.271000       1.358000  
1 1 1 31 5  13 o 3.1510  0.7024 1.026000       1.405000  
1 1 1 31 5  14 o 2.0940  0.6081 1.406000       1.216000  
1 1 1 31 5  15 o 2.1370  0.6708 -0.7648000     1.342000  
1 1 1 31 5  16 o 3.7430  0.7420 -0.7697000     1.484000  
1 1 1 31 5  17 o 7.7090  0.4119 0.3132000      0.8239000 
1 1 1 31 5  18 o 2.7280  0.7069 0.7224000      1.414000  
1 1 1 31 5  19 o 4.2040  0.7258 0.7723000      1.452000  
1 1 1 31 5  20 o 6.4740  0.5950 1.010000       1.190000  
1 1 1 31 5  21 o 6.6920  0.6183 0.8463000      1.237000  
1 1 1 31 5  22 o 3.0130  0.7817 -0.6486000     1.563000  
1 1 1 31 5  23 o 5.0860  0.5549 0.1459000      1.110000  
1 1 1 31 5  24 o 3.5680  0.7233 1.095000       1.447000  
1 1 1 31 5  25 o 4.2240  0.6979 -1.549000      1.396000  
1 1 1 31 5  26 o 2.1110  0.6498 0.9378000E-01  1.300000  
1 1 1 31 5  27 o 2.0600  0.6458 0.3653000      1.292000  
1 1 1 31 5  28 o 2.6330  0.7310 -0.7571000     1.462000  
1 1 1 31 5  29 o 4.0430  0.7244 -0.1368000     1.449000  
1 1 1 31 5  30 o 5.2050  0.6623 -0.2571000     1.325000  
1 1 1 31 5  31 o 2.5430  0.7233 0.4005000      1.447000  
1 1 1 31 5  32 o 7.0970  0.4449 -0.4878000     0.8898000 
1 1 1 31 5  33 o 3.3810  0.7707 -0.1442000     1.541000  
1 1 1 31 5  34 o 2.3530  0.7102 -0.3066000     1.420000  
1 1 1 31 5  35 o 7.1650  0.4699 1.541000       0.9399000 
1 1 1 31 5  36 o 2.6730  0.7408 0.1873000      1.482000  
1 1 1 31 5  37 o 2.7120  0.7519 0.1142000E-01  1.504000  
1 1 1 31 5  38 o 3.0530  0.6348 -2.317000      1.270000  
1 1 1 31 5  39 o 4.4310  0.6391 0.5046000      1.278000  
1 1 1 31 5  40 o 8.2350  0.3583 0.4828000      0.7167000 
1 1 1 31 5  41 o 4.1950  0.6521 1.119000       1.304000  
1 1 1 31 5  42 o 4.5260  0.6194 -0.3818000E-01 1.239000  
1 1 1 31 6  0  o 1.7080  1.0550 0.000000       0.000000  
1 1 1 31 6  1  o 2.3350  0.6682 0.5470000      1.336000  
1 1 1 31 6  2  o 2.6820  0.6809 1.079000       1.362000  
1 1 1 31 6  3  o 3.0690  0.6528 1.937000       1.306000  
1 1 1 31 6  4  o 3.6270  0.7367 -0.5734000     1.473000  
1 1 1 31 6  5  o 1.7510  0.5909 0.2112000      1.182000  
1 1 1 31 6  6  o 3.1600  0.7497 1.241000       1.499000  
1 1 1 31 6  7  o 2.7680  0.7221 -0.1942000     1.444000  
1 1 1 31 6  8  o 6.4650  0.4101 -1.164000      0.8203000 
1 1 1 31 6  9  o 6.6430  0.4157 -0.6138000     0.8314000 
1 1 1 31 6  10 o 7.5030  0.3773 -0.6703000     0.7546000 
1 1 1 31 6  11 o 5.4740  0.5073 0.3660000      1.015000  
1 1 1 31 6  12 o 8.6910  0.3361 -0.6703000     0.6722000 
1 1 1 31 6  13 o 5.0620  0.5506 -0.2737000     1.101000  
1 1 1 31 6  14 o 2.9280  0.7024 0.8361000      1.405000  
1 1 1 31 6  15 o 3.0530  0.7115 0.5143000      1.423000  
1 1 1 31 6  16 o 3.0700  0.6645 1.636000       1.329000  
1 1 1 31 6  17 o 2.4020  0.6714 0.8965000      1.343000  
1 1 1 31 6  18 o 8.0820  0.3561 -0.5165000     0.7122000 
1 1 1 31 6  19 o 4.3590  0.6868 -0.6044000     1.374000  
1 1 1 31 6  20 o 3.8500  0.8129 -0.4879000     1.626000  
1 1 1 31 6  21 o 5.0590  0.7360 -0.4968000     1.472000  
1 1 1 31 6  22 o 4.9880  0.7042 -2.006000      1.408000  
1 1 1 31 6  23 o 2.4490  0.7248 -0.5165000     1.450000  
1 1 1 31 6  24 o 8.8840  0.3736 0.9634000E-01  0.7473000 
1 1 1 31 6  25 o 4.1100  0.7265 2.234000       1.453000  
1 1 1 31 6  26 o 4.8330  0.7868 ?              ?         
1 1 1 31 6  27 o 2.9190  0.7230 0.8576000      1.446000  
1 1 1 31 6  28 o 1.5870  0.5480 -0.1805000     1.096000  
1 1 1 31 6  29 o 5.1520  0.6560 -0.3211000     1.312000  
1 1 1 31 6  30 o 2.3560  0.7009 0.2057000      1.402000  
1 1 1 31 6  31 f 5.4590  0.5666 -0.4381000     1.133000  
1 1 1 31 6  32 o 3.6930  0.6450 2.664000       1.290000  
1 1 1 31 6  33 o 3.7100  0.7520 0.1996000      1.504000  
1 1 1 31 6  34 o 3.8900  0.7502 -0.4247000E-01 1.500000  
1 1 1 31 6  35 o 2.8240  0.7639 -0.4604000     1.528000  
1 1 1 31 6  36 o 7.4060  0.4602 0.4647000      0.9204000 
1 1 1 31 6  37 o 2.2720  0.7042 -0.5086000     1.408000  
1 1 1 31 6  38 o 3.6810  0.6885 -1.514000      1.377000  
1 1 1 31 6  39 o 2.2500  0.6721 0.2865000      1.344000  
1 1 1 31 6  40 o 2.3830  0.6832 -0.7828000     1.366000  
1 1 1 31 6  41 o 3.3800  0.6740 1.737000       1.348000  
1 1 1 31 6  42 o 4.6190  0.6112 1.449000       1.222000  
1 1 1 31 7  0  o 10.780  0.3892 0.000000       0.000000  
1 1 1 31 7  1  o 5.1330  0.5218 0.2681000      1.044000  
1 1 1 31 7  2  o 2.0680  0.6483 -0.9076000E-01 1.297000  
1 1 1 31 7  3  o 4.2530  0.6269 -0.9249000     1.254000  
1 1 1 31 7  4  o 3.8640  0.7259 0.8425000E-01  1.452000  
1 1 1 31 7  5  o 4.7540  0.6340 1.017000       1.268000  
1 1 1 31 7  6  o 4.8230  0.6289 1.920000       1.258000  
1 1 1 31 7  7  f 2.3720  0.6850 -0.7240000E-01 1.370000  
1 1 1 31 7  8  o 4.6520  0.6014 1.577000       1.203000  
1 1 1 31 7  9  f 7.4700  0.3729 0.2795000      0.7457000 
1 1 1 31 7  10 o 5.3840  0.5145 -0.1592000     1.029000  
1 1 1 31 7  11 o 5.2320  0.5807 -1.327000      1.161000  
1 1 1 31 7  12 o 6.3070  0.4413 0.3424000      0.8827000 
1 1 1 31 7  13 o 2.0920  0.6435 -0.6034000     1.287000  
1 1 1 31 7  14 o 1.7850  0.5883 -0.9499000E-01 1.177000  
1 1 1 31 7  15 o 2.8230  0.6689 1.399000       1.338000  
1 1 1 31 7  16 o 3.8370  0.6462 -0.2275000     1.292000  
1 1 1 31 7  17 o 3.4420  0.7200 0.6601000      1.440000  
1 1 1 31 7  18 o 4.8250  0.6278 0.6580000      1.256000  
1 1 1 31 7  19 o 3.3290  0.7199 -1.339000      1.440000  
1 1 1 31 7  20 o 9.3120  0.4200 0.4642000      0.8400000 
1 1 1 31 7  21 o 3.2400  0.7705 0.4241000E-01  1.541000  
1 1 1 31 7  22 o 3.5200  0.7517 -0.3949000     1.503000  
1 1 1 31 7  23 o 2.6330  0.7383 -1.168000      1.477000  
1 1 1 31 7  24 o 3.0460  0.7861 0.5969000      1.572000  
1 1 1 31 7  25 o 7.8000  0.5297 0.3171000      1.059000  
1 1 1 31 7  26 o 4.7220  0.6608 0.5827000      1.322000  
1 1 1 31 7  27 o 4.2080  0.7331 2.058000       1.466000  
1 1 1 31 7  28 f 5.7820  0.5274 -0.1178000     1.055000  
1 1 1 31 7  29 o 2.4750  0.7200 -0.6984000     1.440000  
1 1 1 31 7  30 o 3.9960  0.7250 -0.6832000     1.450000  
1 1 1 31 7  31 o 8.4650  0.3800 -1.251000      0.7599000 
1 1 1 31 7  32 o 4.3820  0.6569 2.813000       1.314000  
1 1 1 31 7  33 o 8.1650  0.4077 0.6119000      0.8154000 
1 1 1 31 7  34 o 3.1930  0.7740 -0.5284000     1.548000  
1 1 1 31 7  35 o 4.2490  0.7237 0.6734000      1.447000  
1 1 1 31 7  36 o 3.0490  0.7806 -0.6730000     1.561000  
1 1 1 31 7  37 o 2.3630  0.7143 -0.1298000     1.429000  
1 1 1 31 7  38 o 2.5650  0.7379 -0.1885000     1.476000  
1 1 1 31 7  39 o 1.7980  0.6044 -0.2452000     1.209000  
1 1 1 31 7  40 o 3.3730  0.7117 1.543000       1.423000  
1 1 1 31 7  41 o 2.6570  0.7434 -1.099000      1.487000  
1 1 1 31 8  0  o 2.7280  1.2370 0.000000       0.000000  
1 1 1 31 8  1  o 8.2830  0.3580 0.7565000      0.7160000 
1 1 1 31 8  2  o 2.9160  0.6977 0.8586000      1.395000  
1 1 1 31 8  3  o 2.4790  0.7073 1.096000       1.415000  
1 1 1 31 8  4  o 2.0970  0.6601 0.6936000E-01  1.320000  
1 1 1 31 8  5  o 3.2600  0.7559 0.4983000      1.512000  
1 1 1 31 8  6  o 3.0950  0.7555 0.6357000      1.511000  
1 1 1 31 8  7  o 3.6150  0.6902 -0.6605000     1.380000  
1 1 1 31 8  8  o 2.6890  0.6882 1.211000       1.376000  
1 1 1 31 8  9  f 5.2730  0.5859 -0.3418000     1.172000  
1 1 1 31 8  10 o 3.5700  0.7356 0.8265000      1.471000  
1 1 1 31 8  11 o 6.0030  0.4605 -1.032000      0.9210000 
1 1 1 31 8  12 o 2.7830  0.7077 0.5903000      1.415000  
1 1 1 31 8  13 o 2.2880  0.6665 0.5344000      1.333000  
1 1 1 31 8  14 o 3.4810  0.6288 -1.982000      1.258000  
1 1 1 31 8  15 o 7.4270  0.3816 0.1552000E-01  0.7632000 
1 1 1 31 8  16 o 6.3760  0.4423 1.820000       0.8846000 
1 1 1 31 8  17 o 3.5290  0.6456 -1.971000      1.291000  
1 1 1 31 8  18 o 4.6870  0.6131 -1.804000      1.226000  
1 1 1 31 8  19 o 3.3270  0.6707 -0.9404000     1.341000  
1 1 1 31 8  20 o 2.6730  0.7231 -0.6711000     1.446000  
1 1 1 31 8  21 o 7.0420  0.4799 -0.2057000     0.9599000 
1 1 1 31 8  22 o 4.0820  0.7148 -1.503000      1.430000  
1 1 1 31 8  23 o 5.1920  0.7559 -0.6980000     1.512000  
1 1 1 31 8  24 o 2.1700  0.7152 -0.2036000     1.430000  
1 1 1 31 8  25 o 6.6360  0.6276 0.2562000      1.255000  
1 1 1 31 8  26 o 5.2120  0.7980 -1.952000      1.596000  
1 1 1 31 8  27 o 2.1720  0.6765 -0.6851000     1.353000  
1 1 1 31 8  28 o 2.7620  0.9995 ?              ?         
1 1 1 31 8  29 o 3.8310  0.7080 1.189000       1.416000  
1 1 1 31 8  30 o 2.9000  0.6773 1.597000       1.355000  
1 1 1 31 8  31 o 3.7270  0.6987 -2.308000      1.397000  
1 1 1 31 8  32 o 5.0520  0.6392 1.516000       1.278000  
1 1 1 31 8  33 o 2.6870  0.7428 0.2338000E-01  1.486000  
1 1 1 31 8  34 o 3.9300  0.7496 -0.1122000     1.499000  
1 1 1 31 8  35 o 3.8780  0.6826 -2.958000      1.365000  
1 1 1 31 8  36 o 6.6570  0.4324 -0.2832000     0.8648000 
1 1 1 31 8  37 o 1.7920  0.5926 0.9926000E-01  1.185000  
1 1 1 31 8  38 o 5.2380  0.5855 1.940000       1.171000  
1 1 1 31 8  39 f 6.1570  0.5592 1.536000       1.118000  
1 1 1 31 8  40 o 4.0380  0.6927 0.5337000      1.385000  
1 1 1 31 8  41 o 2.7220  0.6378 -2.195000      1.276000  
1 1 1 31 9  0  f 3.2640  1.1760 0.000000       0.000000  
1 1 1 31 9  1  o 3.3970  0.6301 -2.929000      1.260000  
1 1 1 31 9  2  o 2.8250  0.7005 -0.7118000     1.401000  
1 1 1 31 9  3  o 5.3290  0.5862 -0.6630000     1.172000  
1 1 1 31 9  4  o 3.9310  0.7220 -0.5800000     1.444000  
1 1 1 31 9  5  o 4.8140  0.6392 -0.4072000     1.278000  
1 1 1 31 9  6  o 6.8740  0.4028 -1.270000      0.8056000 
1 1 1 31 9  7  o 5.9400  0.5079 -1.665000      1.016000  
1 1 1 31 9  8  o 8.5450  0.3716 0.2942000      0.7431000 
1 1 1 31 9  9  o 3.1870  0.7299 0.9802000      1.460000  
1 1 1 31 9  10 o 6.6450  0.4847 0.6417000      0.9694000 
1 1 1 31 9  11 o 2.7410  0.7097 0.2063000      1.419000  
1 1 1 31 9  12 o 9.0740  0.3191 -0.3816000     0.6383000 
1 1 1 31 9  13 o 10.080  0.3112 0.5871000E-01  0.6224000 
1 1 1 31 9  14 o 2.6650  0.6835 1.600000       1.367000  
1 1 1 31 9  15 o 3.2120  0.7263 0.7532000      1.453000  
1 1 1 31 9  16 o 3.6860  0.6955 -0.1327000     1.391000  
1 1 1 31 9  17 o 2.5210  0.7003 0.4409000      1.401000  
1 1 1 31 9  18 o 2.3880  0.6675 -0.1348000     1.335000  
1 1 1 31 9  19 o 2.9280  0.6542 -1.898000      1.308000  
1 1 1 31 9  20 o 8.5740  0.3689 -0.1752000     0.7378000 
1 1 1 31 9  21 o 3.6920  1.1330 ?              ?         
1 1 1 31 9  22 o 5.3880  0.6098 1.109000       1.220000  
1 1 1 31 9  23 o 5.4900  0.7509 1.925000       1.502000  
1 1 1 31 9  24 o 2.4810  0.7874 -1.036000      1.575000  
1 1 1 31 9  25 o 2.6280  1.0670 ?              ?         
1 1 1 31 9  26 o 2.3490  0.6978 0.3990000      1.396000  
1 1 1 31 9  27 o 2.5780  0.7453 0.4775000      1.491000  
1 1 1 31 9  28 o 3.6390  0.7310 0.6826000      1.462000  
1 1 1 31 9  29 o 3.5340  0.7220 0.7346000      1.444000  
1 1 1 31 9  30 o 1.7100  0.5796 -0.3650000     1.159000  
1 1 1 31 9  31 o 2.6100  0.7262 -0.3862000E-01 1.452000  
1 1 1 31 9  32 o 2.4710  0.7163 -0.6500000     1.433000  
1 1 1 31 9  33 f 3.7560  0.7367 0.6693000      1.473000  
1 1 1 31 9  34 o 4.7280  0.6684 1.132000       1.337000  
1 1 1 31 9  35 o 3.1870  0.7708 -1.083000      1.542000  
1 1 1 31 9  36 o 5.8270  0.4851 -0.1506000     0.9701000 
1 1 1 31 9  37 o 2.0570  0.6329 -0.9118000     1.266000  
1 1 1 31 9  38 o 3.1790  0.7072 1.088000       1.414000  
1 1 1 31 9  39 o 4.1200  0.7106 1.617000       1.421000  
1 1 1 31 9  40 o 1.8650  0.6195 0.2914000E-01  1.239000  
1 1 1 31 10 0  o 1.8280  1.0910 0.000000       0.000000  
1 1 1 31 10 1  o 5.2020  0.5109 0.4349000      1.022000  
1 1 1 31 10 2  o 5.6580  0.5517 1.775000       1.103000  
1 1 1 31 10 3  o 8.5290  0.3827 -0.6728000     0.7655000 
1 1 1 31 10 4  o 5.6990  0.5344 1.413000       1.069000  
1 1 1 31 10 5  o 3.0480  0.6951 -1.498000      1.390000  
1 1 1 31 10 6  o 10.370  0.2869 -0.4668000     0.5739000 
1 1 1 31 10 7  o 2.2660  0.6862 -0.2111000E-01 1.372000  
1 1 1 31 10 8  o 1.9140  0.6239 -0.1706000     1.248000  
1 1 1 31 10 9  o 2.2640  0.6844 -1.114000      1.369000  
1 1 1 31 10 10 o 3.2000  0.7172 0.1090000      1.434000  
1 1 1 31 10 11 o 5.2490  0.5677 1.632000       1.135000  
1 1 1 31 10 12 o 4.5540  0.6357 0.4051000      1.271000  
1 1 1 31 10 13 o 6.0670  0.4826 0.4105000      0.9653000 
1 1 1 31 10 14 o 7.8110  0.3850 0.3929000      0.7701000 
1 1 1 31 10 15 o 4.2430  0.6646 1.272000       1.329000  
1 1 1 31 10 16 o 3.3850  0.6696 0.4645000      1.339000  
1 1 1 31 10 17 o 5.0930  0.5209 0.5431000E-01  1.042000  
1 1 1 31 10 18 o 2.2940  0.6437 -1.404000      1.287000  
1 1 1 31 10 19 o 3.8370  0.7151 -0.3547000     1.430000  
1 1 1 31 10 20 o 2.9590  0.7380 0.8687000      1.476000  
1 1 1 31 10 21 o 2.8500  0.7308 1.062000       1.462000  
1 1 1 31 10 22 o 6.9010  0.4678 0.4354000      0.9357000 
1 1 1 31 10 23 o 3.3650  0.8912 -0.8232000E-01 1.782000  
1 1 1 31 10 24 o 6.0240  0.7579 3.180000       1.516000  
1 1 1 31 10 25 o 9.1970  0.3703 0.2975000      0.7406000 
1 1 1 31 10 26 o 3.6230  0.6492 2.499000       1.298000  
1 1 1 31 10 27 o 7.0420  0.4990 1.925000       0.9981000 
1 1 1 31 10 28 o 4.3370  0.8420 ?              ?         
1 1 1 31 10 29 o 3.5360  0.7736 1.034000       1.547000  
1 1 1 31 10 30 o 2.7140  0.6999 0.9866000      1.400000  
1 1 1 31 10 31 o 1.9480  0.6290 0.1064000      1.258000  
1 1 1 31 10 32 o 4.8950  0.6520 2.432000       1.304000  
1 1 1 31 10 33 o 4.6800  0.6533 -0.7412000     1.307000  
1 1 1 31 10 34 o 3.6660  0.7534 -0.2358000     1.507000  
1 1 1 31 10 35 o 3.0000  0.7216 0.1530000      1.443000  
1 1 1 31 10 36 o 1.8780  0.6011 0.5175000      1.202000  
1 1 1 31 10 37 o 2.4020  0.6543 -0.9920000     1.309000  
1 1 1 31 10 38 o 3.3530  0.6826 1.058000       1.365000  
1 1 1 31 10 39 o 2.4750  0.6807 0.5424000      1.361000  
1 1 1 31 11 0  o 1.5000  0.9788 0.000000       0.000000  
1 1 1 31 11 1  o 2.7970  0.7061 -0.5689000     1.412000  
1 1 1 31 11 2  o 3.9870  0.6572 -0.7404000     1.314000  
1 1 1 31 11 3  o 5.5250  0.5687 -0.7467000     1.137000  
1 1 1 31 11 4  o 2.8060  0.7148 1.659000       1.430000  
1 1 1 31 11 5  o 1.9920  0.6279 0.2399000E-01  1.256000  
1 1 1 31 11 6  o 1.6180  0.5469 -0.5363000E-02 1.094000  
1 1 1 31 11 7  o 2.7450  0.7502 -0.5438000     1.500000  
1 1 1 31 11 8  o 2.8390  0.7435 -1.257000      1.487000  
1 1 1 31 11 9  o 2.7780  0.7608 -0.1155000     1.522000  
1 1 1 31 11 10 o 6.4310  0.4555 -1.263000      0.9110000 
1 1 1 31 11 11 o 6.1310  0.4646 0.7179000      0.9292000 
1 1 1 31 11 12 o 9.0500  0.3342 0.9592000      0.6684000 
1 1 1 31 11 13 o 2.8900  0.6874 -1.227000      1.375000  
1 1 1 31 11 14 o 6.2480  0.4277 0.1403000      0.8555000 
1 1 1 31 11 15 o 5.6550  0.5287 0.1862000      1.057000  
1 1 1 31 11 16 o 4.0650  0.6878 0.4822000      1.376000  
1 1 1 31 11 17 o 4.7140  0.6806 -0.1564000     1.361000  
1 1 1 31 11 18 o 8.4170  0.3693 -0.5837000     0.7386000 
1 1 1 31 11 19 f 2.5930  0.7234 -0.2210000E-01 1.447000  
1 1 1 31 11 20 o 4.7210  0.6371 -1.786000      1.274000  
1 1 1 31 11 21 o 4.5210  0.6684 -2.547000      1.337000  
1 1 1 31 11 22 o 6.0040  0.5352 0.7818000      1.070000  
1 1 1 31 11 23 o 4.1980  0.7786 1.392000       1.557000  
1 1 1 31 11 24 o 2.8630  0.7504 0.1775000      1.501000  
1 1 1 31 11 25 o 2.2910  0.6940 -0.9345000     1.388000  
1 1 1 31 11 26 o 2.9450  0.7503 -0.1585000     1.501000  
1 1 1 31 11 27 o 5.5560  0.6078 2.118000       1.216000  
1 1 1 31 11 28 o 3.0770  0.7815 0.1757000      1.563000  
1 1 1 31 11 29 o 2.7030  0.7616 -0.1359000     1.523000  
1 1 1 31 11 30 o 2.0930  0.6759 0.1709000E-01  1.352000  
1 1 1 31 11 31 o 2.0420  0.6356 0.1935000      1.271000  
1 1 1 31 11 32 o 2.9220  0.7160 0.1411000      1.432000  
1 1 1 31 11 33 o 1.8780  0.6087 -0.4781000     1.217000  
1 1 1 31 11 34 o 2.3340  0.6736 -0.6858000     1.347000  
1 1 1 31 11 35 o 2.0020  0.6212 0.2253000      1.242000  
1 1 1 31 11 36 o 2.8490  0.6160 -2.036000      1.232000  
1 1 1 31 11 37 o 3.0690  0.6445 -1.709000      1.289000  
1 1 1 31 11 38 f 2.1640  0.6806 0.6247000      1.361000  
1 1 1 31 12 0  o 9.8720  0.4305 0.000000       0.000000  
1 1 1 31 12 1  o 7.5160  0.3723 -0.7670000     0.7447000 
1 1 1 31 12 2  f 4.7660  0.6047 -2.098000      1.209000  
1 1 1 31 12 3  o 3.8020  0.7588 -1.266000      1.518000  
1 1 1 31 12 4  o 3.2310  0.8141 0.7432000      1.628000  
1 1 1 31 12 5  o 7.2490  0.4396 0.3516000      0.8793000 
1 1 1 31 12 6  o 1.9740  0.6342 0.2593000      1.268000  
1 1 1 31 12 7  o 2.5910  0.7375 -0.6790000     1.475000  
1 1 1 31 12 8  o 4.9090  0.6467 -0.7682000     1.293000  
1 1 1 31 12 9  f 2.1890  0.6325 1.479000       1.265000  
1 1 1 31 12 10 o 1.9560  0.6149 -0.1489000     1.230000  
1 1 1 31 12 11 f 2.1460  0.6435 0.1701000      1.287000  
1 1 1 31 12 12 o 1.6040  0.5412 -0.4129000E-01 1.082000  
1 1 1 31 12 13 f 4.1870  0.6449 2.204000       1.290000  
1 1 1 31 12 14 o 5.1720  0.5690 0.8018000      1.138000  
1 1 1 31 12 15 o 2.4110  0.6995 -0.6068000     1.399000  
1 1 1 31 12 16 o 3.3660  0.6977 1.362000       1.395000  
1 1 1 31 12 17 o 6.7350  0.4402 -1.318000      0.8805000 
1 1 1 31 12 18 o 6.1120  0.4848 -1.297000      0.9696000 
1 1 1 31 12 19 o 2.9700  0.8450 0.7446000E-01  1.690000  
1 1 1 31 12 20 o 2.4820  0.7031 1.344000       1.406000  
1 1 1 31 12 21 o 3.1770  0.7381 0.6503000      1.476000  
1 1 1 31 12 22 o 3.1200  0.7457 -0.8445000E-02 1.491000  
1 1 1 31 12 23 o 3.0890  0.7069 -0.7275000     1.414000  
1 1 1 31 12 24 o 1.7150  0.5613 0.4026000E-02  1.123000  
1 1 1 31 12 25 o 2.9520  0.6887 1.021000       1.377000  
1 1 1 31 12 26 o 2.3030  0.6661 0.4951000      1.332000  
1 1 1 31 12 27 o 1.7610  0.5774 0.4804000      1.155000  
1 1 1 31 12 28 o 8.1980  0.3489 -0.4632000     0.6978000 
1 1 1 31 12 29 o 2.9030  0.7439 -0.6905000E-01 1.488000  
1 1 1 31 12 30 o 3.0770  0.7491 0.4866000      1.498000  
1 1 1 31 12 31 o 4.1240  0.6391 1.924000       1.278000  
1 1 1 31 12 32 o 2.5480  0.7198 -1.383000      1.440000  
1 1 1 31 12 33 o 7.6380  0.3457 -0.1021000     0.6913000 
1 1 1 31 12 34 o 1.6300  0.5449 -0.5561000     1.090000  
1 1 1 31 12 35 o 2.5730  0.7070 -1.104000      1.414000  
1 1 1 31 12 36 o 2.9960  0.6025 -2.517000      1.205000  
1 1 1 31 12 37 o 4.6150  0.6573 2.310000       1.315000  
1 1 1 31 13 0  o 7.6750  0.5779 0.000000       0.000000  
1 1 1 31 13 1  o 5.0120  0.6072 0.1416000      1.214000  
1 1 1 31 13 2  o 3.9240  0.7356 -0.7646000     1.471000  
1 1 1 31 13 3  o 4.4400  0.7906 2.476000       1.581000  
1 1 1 31 13 4  o 4.1970  0.8257 0.7898000      1.651000  
1 1 1 31 13 5  o 2.4380  0.7070 0.2178000      1.414000  
1 1 1 31 13 6  o 1.8100  0.5905 0.3333000      1.181000  
1 1 1 31 13 7  o 2.0540  0.6437 0.5567000      1.287000  
1 1 1 31 13 8  f 4.4730  0.6736 0.6112000      1.347000  
1 1 1 31 13 9  o 2.4050  0.6764 -0.4126000     1.353000  
1 1 1 31 13 10 o 5.2170  0.4978 0.6290000      0.9957000 
1 1 1 31 13 11 o 2.6120  0.6850 -0.7560000     1.370000  
1 1 1 31 13 12 o 2.7590  0.7083 0.5116000      1.417000  
1 1 1 31 13 13 f 3.1920  0.7237 -1.248000      1.447000  
1 1 1 31 13 14 o 3.4050  0.6657 1.168000       1.331000  
1 1 1 31 13 15 o 1.6730  0.5569 -0.3152000     1.114000  
1 1 1 31 13 16 o 2.1820  0.6519 0.1845000      1.304000  
1 1 1 31 13 17 o 1.9170  0.6077 -0.4676000     1.215000  
1 1 1 31 13 18 o 3.0970  0.8440 2.077000       1.688000  
1 1 1 31 13 19 o 2.1470  0.6651 0.4182000E-01  1.330000  
1 1 1 31 13 20 o 2.8800  0.7008 1.419000       1.402000  
1 1 1 31 13 21 o 3.2740  0.8049 -0.6731000     1.610000  
1 1 1 31 13 22 o 4.6180  0.7303 0.9234000      1.461000  
1 1 1 31 13 23 o 1.9930  0.5943 1.198000       1.189000  
1 1 1 31 13 24 o 1.9440  0.5749 1.384000       1.150000  
1 1 1 31 13 25 o 3.3900  0.6388 -1.291000      1.278000  
1 1 1 31 13 26 o 7.9140  0.3205 1.377000       0.6411000 
1 1 1 31 13 27 o 6.1580  0.4515 0.8008000      0.9030000 
1 1 1 31 13 28 o 1.7560  0.5815 -0.3178000     1.163000  
1 1 1 31 13 29 o 2.9640  0.6865 0.9849000      1.373000  
1 1 1 31 13 30 o 3.2250  0.6669 1.461000       1.334000  
1 1 1 31 13 31 o 2.0810  0.6355 -1.015000      1.271000  
1 1 1 31 13 32 o 3.7970  0.7109 1.423000       1.422000  
1 1 1 31 13 33 o 3.4630  0.7423 -1.429000      1.485000  
1 1 1 31 13 34 o 2.5200  0.7314 0.6143000      1.463000  
1 1 1 31 13 35 o 2.6120  0.7382 0.9565000E-01  1.476000  
1 1 1 31 13 36 o 2.7870  0.8073 0.1685000      1.615000  
1 1 1 31 14 0  o 1.3840  0.9068 0.000000       0.000000  
1 1 1 31 14 1  o 1.9820  0.6138 -0.1426000     1.228000  
1 1 1 31 14 2  o 1.9400  0.6009 -0.5612000     1.202000  
1 1 1 31 14 3  o 2.3510  0.6970 -0.9196000E-01 1.394000  
1 1 1 31 14 4  o 2.5630  0.7269 0.7439000      1.454000  
1 1 1 31 14 5  o 4.6380  0.5809 -0.1184000     1.162000  
1 1 1 31 14 6  o 2.0610  0.6356 0.3246000      1.271000  
1 1 1 31 14 7  o 7.2050  0.4351 1.188000       0.8703000 
1 1 1 31 14 8  o 2.0740  0.6506 0.5879000E-01  1.301000  
1 1 1 31 14 9  o 2.3060  0.6621 0.4160000      1.324000  
1 1 1 31 14 10 o 8.3030  0.3262 1.160000       0.6524000 
1 1 1 31 14 11 o 2.2490  0.6181 1.359000       1.236000  
1 1 1 31 14 12 o 5.0590  0.5360 1.569000       1.072000  
1 1 1 31 14 13 o 4.0140  0.6389 -0.2143000     1.278000  
1 1 1 31 14 14 o 2.0740  0.6293 -0.6464000     1.259000  
1 1 1 31 14 15 o 3.1030  0.7000 -0.6641000     1.400000  
1 1 1 31 14 16 o 2.7910  0.7253 -0.7247000     1.451000  
1 1 1 31 14 17 o 3.4360  0.7321 -0.4796000     1.464000  
1 1 1 31 14 18 o 2.1200  0.6661 0.6424000      1.332000  
1 1 1 31 14 19 o 3.8680  0.7089 0.1753000      1.418000  
1 1 1 31 14 20 o 4.5230  0.7403 0.6831000      1.481000  
1 1 1 31 14 21 o 1.9850  0.6546 -0.3838000     1.309000  
1 1 1 31 14 22 o 4.3850  0.6606 -0.1048000     1.321000  
1 1 1 31 14 23 o 7.1540  0.3752 0.4632000      0.7503000 
1 1 1 31 14 24 o 2.6880  0.7022 -0.1636000E-03 1.404000  
1 1 1 31 14 25 o 2.2640  0.6665 -0.1331000E-01 1.333000  
1 1 1 31 14 26 o 2.6830  0.6071 2.069000       1.214000  
1 1 1 31 14 27 o 2.3390  0.6272 -0.9639000     1.254000  
1 1 1 31 14 28 o 2.7880  0.6353 1.783000       1.271000  
1 1 1 31 14 29 o 3.3010  0.7040 0.5391000      1.408000  
1 1 1 31 14 30 o 3.0090  0.7049 -1.175000      1.410000  
1 1 1 31 14 31 o 6.5000  0.4381 -1.594000      0.8762000 
1 1 1 31 14 32 o 3.3150  0.7323 1.998000       1.465000  
1 1 1 31 14 33 o 4.8180  0.8092 -0.7025000     1.618000  
1 1 1 31 14 34 o 1.7800  0.6036 0.5633000      1.207000  
1 1 1 31 15 0  o 5.9380  0.5555 0.000000       0.000000  
1 1 1 31 15 1  o 1.4290  0.4903 -0.2830000     0.9805000 
1 1 1 31 15 2  o 2.5890  0.6551 -1.014000      1.310000  
1 1 1 31 15 3  o 6.4750  0.4561 1.327000       0.9122000 
1 1 1 31 15 4  o 5.5810  0.4574 -0.1019000     0.9148000 
1 1 1 31 15 5  o 2.4660  0.6770 0.1906000E-01  1.354000  
1 1 1 31 15 6  o 5.2920  0.4486 1.117000       0.8971000 
1 1 1 31 15 7  o 2.1470  0.6414 -0.6402000     1.283000  
1 1 1 31 15 8  o 3.5030  0.7070 -1.203000      1.414000  
1 1 1 31 15 9  o 3.6530  0.6283 0.7495000      1.257000  
1 1 1 31 15 10 o 1.7540  0.5682 -0.5144000     1.136000  
1 1 1 31 15 11 o 1.6850  0.5393 0.6954000      1.079000  
1 1 1 31 15 12 o 2.1760  0.6535 -0.2700000     1.307000  
1 1 1 31 15 13 o 1.7140  0.5622 -0.4943000     1.124000  
1 1 1 31 15 14 o 1.9680  0.6102 -0.3664000     1.220000  
1 1 1 31 15 15 o 2.1510  0.6383 0.8352000      1.277000  
1 1 1 31 15 16 o 6.1750  0.4586 -0.5853000     0.9173000 
1 1 1 31 15 17 o 2.3590  0.6652 0.5306000      1.330000  
1 1 1 31 15 18 o 3.3090  0.6847 -1.013000      1.369000  
1 1 1 31 15 19 o 6.2490  0.4984 1.789000       0.9969000 
1 1 1 31 15 20 o 2.9900  0.7737 -0.4831000     1.547000  
1 1 1 31 15 21 o 4.9520  0.6000 1.384000       1.200000  
1 1 1 31 15 22 o 1.4960  0.5109 -0.1167000     1.022000  
1 1 1 31 15 23 o 2.3080  0.6527 0.1267000      1.305000  
1 1 1 31 15 24 o 2.7670  0.6989 -0.6306000     1.398000  
1 1 1 31 15 25 o 4.3590  0.6093 2.274000       1.219000  
1 1 1 31 15 26 o 3.0780  0.6476 0.9050000      1.295000  
1 1 1 31 15 27 o 2.4750  0.5751 1.710000       1.150000  
1 1 1 31 15 28 o 2.2780  0.6433 -0.3823000     1.287000  
1 1 1 31 15 29 o 2.0190  0.6275 0.1675000      1.255000  
1 1 1 31 15 30 o 4.4270  0.5803 0.3107000      1.161000  
1 1 1 31 15 31 o 4.5940  0.5782 1.705000       1.156000  
1 1 1 31 15 32 o 3.7220  0.6472 1.270000       1.294000  
1 1 1 31 15 33 o 2.6310  0.8057 0.4164000      1.611000  
1 1 1 31 16 0  o 8.5000  0.4020 0.000000       0.000000  
1 1 1 31 16 1  f 4.1230  0.5601 0.5350000      1.120000  
1 1 1 31 16 2  o 4.7520  0.5350 0.2710000E-01  1.070000  
1 1 1 31 16 3  o 1.8610  0.5817 -0.6715000     1.163000  
1 1 1 31 16 4  o 8.2250  0.3262 -0.4746000     0.6523000 
1 1 1 31 16 5  o 1.8780  0.5914 -0.4488000     1.183000  
1 1 1 31 16 6  o 5.4630  0.4253 0.3871000      0.8506000 
1 1 1 31 16 7  o 5.6540  0.4867 -0.7137000     0.9735000 
1 1 1 31 16 8  o 2.3830  0.6888 -0.4739000     1.378000  
1 1 1 31 16 9  o 2.7910  0.7021 0.3832000      1.404000  
1 1 1 31 16 10 o 5.3490  0.4607 0.7613000      0.9215000 
1 1 1 31 16 11 o 3.4470  0.6866 -0.3649000     1.373000  
1 1 1 31 16 12 o 2.6570  0.6652 -0.9551000     1.330000  
1 1 1 31 16 13 o 2.7370  0.7029 0.1929000      1.406000  
1 1 1 31 16 14 o 1.7960  0.5700 0.4086000      1.140000  
1 1 1 31 16 15 o 3.7320  0.6789 0.9433000      1.358000  
1 1 1 31 16 16 f 3.6540  0.6789 -0.2787000     1.358000  
1 1 1 31 16 17 o 2.5040  0.6876 0.2061000      1.375000  
1 1 1 31 16 18 o 6.9920  0.4454 1.663000       0.8907000 
1 1 1 31 16 19 o 2.4290  0.7352 -1.050000      1.470000  
1 1 1 31 16 20 o 3.2680  0.7231 -0.2057000     1.446000  
1 1 1 31 16 21 o 1.9690  0.6118 -0.1859000     1.224000  
1 1 1 31 16 22 o 5.9200  0.4278 0.5269000      0.8556000 
1 1 1 31 16 23 o 4.2710  0.5853 1.736000       1.171000  
1 1 1 31 16 24 o 2.5420  0.6772 0.7677000      1.354000  
1 1 1 31 16 25 o 2.8220  0.6265 -2.118000      1.253000  
1 1 1 31 16 26 o 1.9920  0.5960 0.5199000      1.192000  
1 1 1 31 16 27 o 6.2320  0.3826 -0.9688000     0.7652000 
1 1 1 31 16 28 o 4.3170  0.5507 -0.5322000     1.101000  
1 1 1 31 16 29 o 3.7140  0.6235 0.2416000E-01  1.247000  
1 1 1 31 16 30 o 5.0380  0.4946 0.9791000      0.9892000 
1 1 1 31 16 31 o 3.2330  0.7217 -0.3585000     1.443000  
1 1 1 31 17 0  o 7.1460  0.4694 0.000000       0.000000  
1 1 1 31 17 1  o 4.1280  0.5549 0.4547000E-01  1.110000  
1 1 1 31 17 2  o 1.7870  0.5693 -0.1432000     1.139000  
1 1 1 31 17 3  o 3.3170  0.6274 -1.630000      1.255000  
1 1 1 31 17 4  o 5.8270  0.4861 0.8148000      0.9722000 
1 1 1 31 17 5  o 2.8750  0.7058 0.4417000      1.412000  
1 1 1 31 17 6  o 4.2090  0.5795 -1.776000      1.159000  
1 1 1 31 17 7  o 3.7880  0.6763 0.5358000      1.353000  
1 1 1 31 17 8  o 4.5910  0.6304 1.862000       1.261000  
1 1 1 31 17 9  o 7.2850  0.4202 -0.4805000E-01 0.8403000 
1 1 1 31 17 10 o 3.1530  0.6628 0.6777000      1.326000  
1 1 1 31 17 11 o 4.5540  0.5869 0.8722000      1.174000  
1 1 1 31 17 12 o 2.1780  0.6348 -0.8635000     1.270000  
1 1 1 31 17 13 o 2.2880  0.6482 0.6205000      1.296000  
1 1 1 31 17 14 o 2.2920  0.6519 -0.2990000     1.304000  
1 1 1 31 17 15 o 2.2620  0.6591 0.2545000E-01  1.318000  
1 1 1 31 17 16 o 1.6250  0.5429 0.3425000      1.086000  
1 1 1 31 17 17 o 5.7050  0.4796 1.179000       0.9592000 
1 1 1 31 17 18 o 1.9200  0.6375 -0.4222000     1.275000  
1 1 1 31 17 19 o 2.8730  0.7648 -0.4965000     1.530000  
1 1 1 31 17 20 o 2.5150  0.6204 1.290000       1.241000  
1 1 1 31 17 21 o 3.0860  0.6803 0.7399000E-01  1.361000  
1 1 1 31 17 22 o 3.3570  0.6173 1.591000       1.235000  
1 1 1 31 17 23 o 2.7670  0.6799 -0.6803000     1.360000  
1 1 1 31 17 24 o 2.8360  0.6412 1.813000       1.282000  
1 1 1 31 17 25 o 2.5970  0.6967 0.2866000      1.393000  
1 1 1 31 17 26 o 2.4700  0.6653 -0.6502000     1.331000  
1 1 1 31 17 27 o 2.9420  0.6773 -0.3128000     1.355000  
1 1 1 31 17 28 o 4.5650  0.5392 0.1993000      1.078000  
1 1 1 31 17 29 o 2.3080  0.6285 -1.507000      1.257000  
1 1 1 31 18 0  o 2.0230  1.0960 0.000000       0.000000  
1 1 1 31 18 1  o 4.7810  0.4808 0.2639000      0.9616000 
1 1 1 31 18 2  o 5.1700  0.4412 -0.2264000     0.8824000 
1 1 1 31 18 3  o 2.7960  0.6406 1.124000       1.281000  
1 1 1 31 18 4  o 4.7100  0.6300 0.5425000      1.260000  
1 1 1 31 18 5  o 3.5600  0.7479 0.3801000      1.496000  
1 1 1 31 18 6  o 2.4050  0.6447 -1.291000      1.289000  
1 1 1 31 18 7  o 2.7650  0.6771 -0.9927000     1.354000  
1 1 1 31 18 8  o 2.5600  0.7230 -0.7138000     1.446000  
1 1 1 31 18 9  o 1.9540  0.6299 -0.4636000     1.260000  
1 1 1 31 18 10 o 2.5930  0.6969 -0.2033000     1.394000  
1 1 1 31 18 11 o 2.2120  0.6134 0.9952000      1.227000  
1 1 1 31 18 12 o 4.5400  0.6369 0.3187000      1.274000  
1 1 1 31 18 13 o 2.6240  0.6765 -0.3112000     1.353000  
1 1 1 31 18 14 o 3.0100  0.6807 -0.8723000E-01 1.361000  
1 1 1 31 18 15 o 6.2940  0.4132 -0.2092000     0.8265000 
1 1 1 31 18 16 o 4.4420  0.5903 0.6211000      1.181000  
1 1 1 31 18 17 o 3.0980  0.6828 -2.132000      1.366000  
1 1 1 31 18 18 o 4.6050  0.7124 0.9351000      1.425000  
1 1 1 31 18 19 o 2.5350  0.6270 1.315000       1.254000  
1 1 1 31 18 20 f 7.7670  0.3627 -1.361000      0.7254000 
1 1 1 31 18 21 o 3.8340  0.6281 0.1799000      1.256000  
1 1 1 31 18 22 o 2.3300  0.6589 -0.4456000     1.318000  
1 1 1 31 18 23 o 2.0790  0.5932 0.8766000      1.186000  
1 1 1 31 18 24 o 3.0040  0.7128 -0.3236000     1.426000  
1 1 1 31 18 25 f 2.5280  0.6821 -0.8713000     1.364000  
1 1 1 31 18 26 o 2.0350  0.5947 0.7231000      1.189000  
1 1 1 31 19 0  o 2.1300  1.1080 0.000000       0.000000  
1 1 1 31 19 1  o 2.3160  0.6430 -0.1656000     1.286000  
1 1 1 31 19 2  o 4.5580  0.5367 0.5594000E-01  1.073000  
1 1 1 31 19 3  o 2.1360  0.6309 -0.6801000     1.262000  
1 1 1 31 19 4  o 2.2440  0.6578 -0.4757000     1.316000  
1 1 1 31 19 5  o 3.3500  0.7464 -0.2302000     1.493000  
1 1 1 31 19 6  o 5.1720  0.5473 -1.714000      1.095000  
1 1 1 31 19 7  o 2.1060  0.6446 -0.8806000E-01 1.289000  
1 1 1 31 19 8  o 2.0670  0.6552 -0.4218000E-01 1.310000  
1 1 1 31 19 9  o 2.4440  0.6996 -0.3881000     1.399000  
1 1 1 31 19 10 o 2.2380  0.6742 -0.8621000     1.348000  
1 1 1 31 19 11 o 2.2010  0.6416 -0.2486000E-02 1.283000  
1 1 1 31 19 12 o 5.5650  0.4399 -0.3614000     0.8799000 
1 1 1 31 19 13 o 1.8490  0.5840 0.2633000      1.168000  
1 1 1 31 19 14 o 2.5490  0.6218 -1.886000      1.244000  
1 1 1 31 19 15 o 2.1380  0.6020 1.385000       1.204000  
1 1 1 31 19 16 o 2.2740  0.6765 -0.4161000     1.353000  
1 1 1 31 19 17 o 2.3450  0.6429 1.031000       1.286000  
1 1 1 31 19 18 o 2.4750  0.6968 -0.2007000     1.394000  
1 1 1 31 19 19 o 4.0720  0.6103 -0.2525000     1.221000  
1 1 1 31 19 20 o 6.1860  0.4462 1.689000       0.8924000 
1 1 1 31 19 21 o 2.7250  0.6623 0.7136000      1.325000  
1 1 1 31 19 22 o 2.0890  0.6316 -0.5904000     1.263000  
1 1 1 31 19 23 o 2.7910  0.6889 -0.4715000     1.378000  
1 1 1 31 19 24 o 4.7750  0.5758 2.567000       1.152000  
1 1 1 31 20 0  o 1.8170  1.0430 0.000000       0.000000  
1 1 1 31 20 1  o 1.9320  0.6038 -0.1234000     1.208000  
1 1 1 31 20 2  o 3.9930  0.6018 -1.455000      1.204000  
1 1 1 31 20 3  o 2.9010  0.6605 0.9288000      1.321000  
1 1 1 31 20 4  o 2.6190  0.6453 1.097000       1.291000  
1 1 1 31 20 5  o 2.5860  0.6801 -0.9519000     1.360000  
1 1 1 31 20 6  o 2.7840  0.7343 -0.3605000     1.469000  
1 1 1 31 20 7  o 2.6130  0.7050 -0.1505000     1.410000  
1 1 1 31 20 8  o 5.6560  0.5077 -0.7884000     1.015000  
1 1 1 31 20 9  o 5.4620  0.5238 -0.9597000     1.048000  
1 1 1 31 20 10 o 6.8490  0.4362 0.2991000E-01  0.8725000 
1 1 1 31 20 11 o 2.9130  0.6546 1.047000       1.309000  
1 1 1 31 20 12 o 2.0040  0.6178 -0.4970000     1.236000  
1 1 1 31 20 13 o 4.7060  0.5679 1.281000       1.136000  
1 1 1 31 20 14 o 3.9720  0.6492 0.2442000      1.298000  
1 1 1 31 20 15 o 1.9430  0.6145 0.1249000      1.229000  
1 1 1 31 20 16 o 6.0260  0.5428 -1.860000      1.086000  
1 1 1 31 20 17 o 3.1720  0.7262 -0.1591000     1.452000  
1 1 1 31 20 18 o 2.6330  0.6817 -0.5552000     1.363000  
1 1 1 31 20 19 o 2.2500  0.6436 0.3342000      1.287000  
1 1 1 31 20 20 o 4.2750  0.5903 0.5164000E-01  1.181000  
1 1 1 31 21 0  o 3.1750  1.1770 0.000000       0.000000  
1 1 1 31 21 1  o 1.6990  0.5599 -0.8021000     1.120000  
1 1 1 31 21 2  o 2.2600  0.6511 -0.2855000     1.302000  
1 1 1 31 21 3  o 2.9800  0.6844 -0.1345000     1.369000  
1 1 1 31 21 4  o 5.8540  0.4573 0.3740000      0.9146000 
1 1 1 31 21 5  o 2.1340  0.6574 0.9007000      1.315000  
1 1 1 31 21 6  o 3.9720  0.7283 -0.9868000E-01 1.457000  
1 1 1 31 21 7  o 1.8910  0.6276 0.8568000      1.255000  
1 1 1 31 21 8  o 2.6660  0.6844 -0.5078000     1.369000  
1 1 1 31 21 9  o 2.9820  0.6366 1.739000       1.273000  
1 1 1 31 21 10 o 2.1100  0.6600 -0.4667000     1.320000  
1 1 1 31 21 11 o 2.7490  0.6955 -0.4099000     1.391000  
1 1 1 31 21 12 o 3.6530  0.6835 0.2339000      1.367000  
1 1 1 31 21 13 o 2.3140  0.6568 0.8120000      1.314000  
1 1 1 31 21 14 o 2.0080  0.6403 -0.5938000     1.281000  
1 1 1 31 21 15 o 3.2440  0.7775 -0.1561000     1.555000  
1 1 1 31 21 16 o 4.0730  0.6704 0.1727000      1.341000  
1 1 1 31 22 0  o 1.5320  0.9911 0.000000       0.000000  
1 1 1 31 22 1  o 2.4130  0.6821 -0.2014000     1.364000  
1 1 1 31 22 2  o 2.9780  0.7511 0.2427000      1.502000  
1 1 1 31 22 3  o 1.8610  0.6067 -0.4043000     1.213000  
1 1 1 31 22 4  o 3.2020  0.6596 -1.495000      1.319000  
1 1 1 31 22 5  o 4.5280  0.6461 0.4758000      1.292000  
1 1 1 31 22 6  o 2.5270  0.6803 -0.5340000     1.361000  
1 1 1 31 22 7  o 2.6690  0.7426 0.9621000      1.485000  
1 1 1 31 22 8  o 2.8150  0.7510 1.006000       1.502000  
1 1 1 31 22 9  o 3.1710  0.6882 0.1846000      1.376000  
1 1 1 31 22 10 o 2.3860  0.6937 0.7713000E-01  1.387000  
1 1 1 31 22 11 o 2.8500  0.8114 0.1867000      1.623000  
1 1 1 32 0  0  o 6.7270  0.7379 0.000000       0.000000  
1 1 1 32 0  1  o 1.1800  0.8131 0.000000       0.000000  
1 1 1 32 0  2  o 2.0710  1.1170 0.000000       0.000000  
1 1 1 32 0  3  o 2.7670  1.1710 0.000000       0.000000  
1 1 1 32 0  4  o 7.8300  0.5193 0.000000       0.000000  
1 1 1 32 0  5  f 1.8250  1.0670 0.000000       0.000000  
1 1 1 32 0  6  o 5.6820  0.7093 0.000000       0.000000  
1 1 1 32 0  7  o 13.610  0.3479 0.000000       0.000000  
1 1 1 32 0  8  o 5.3630  0.7553 0.000000       0.000000  
1 1 1 32 0  9  o 6.3610  0.6227 0.000000       0.000000  
1 1 1 32 0  10 o 2.6640  1.2400 0.000000       0.000000  
1 1 1 32 0  11 o 2.8350  1.2410 0.000000       0.000000  
1 1 1 32 0  12 o 1.4420  0.9608 0.000000       0.000000  
1 1 1 32 0  13 o 2.5860  1.3420 0.000000       0.000000  
1 1 1 32 0  14 o 1.5480  1.0390 0.000000       0.000000  
1 1 1 32 0  15 o 8.2240  0.6411 0.000000       0.000000  
1 1 1 32 0  16 o 2.9080  1.3960 0.000000       0.000000  
1 1 1 32 0  17 o 2.0540  1.2350 0.000000       0.000000  
1 1 1 32 0  18 o 7.6940  0.6639 0.000000       0.000000  
1 1 1 32 0  19 o 14.560  0.4101 0.000000       0.000000  
1 1 1 32 0  20 o 4.1900  1.2420 0.000000       0.000000  
1 1 1 32 0  21 o 4.6220  1.1430 0.000000       0.000000  
1 1 1 32 0  22 o 4.8300  0.9368 0.000000       0.000000  
1 1 1 32 0  23 f 1.0170  0.7331 0.000000       0.000000  
1 1 1 32 0  24 o 5.3900  0.9698 0.000000       0.000000  
1 1 1 32 0  25 o 2.5200  1.3300 0.000000       0.000000  
1 1 1 32 0  26 o 1.6080  1.0630 0.000000       0.000000  
1 1 1 32 0  27 o 5.4810  0.9286 0.000000       0.000000  
1 1 1 32 0  28 o 1.5870  1.0580 0.000000       0.000000  
1 1 1 32 0  29 o 3.5600  1.3920 0.000000       0.000000  
1 1 1 32 0  30 o 7.2640  0.6929 0.000000       0.000000  
1 1 1 32 0  31 o 8.5870  0.5939 0.000000       0.000000  
1 1 1 32 0  32 o 1.9700  1.1980 0.000000       0.000000  
1 1 1 32 0  33 o 1.7690  1.1320 0.000000       0.000000  
1 1 1 32 0  34 o 4.2750  1.2240 0.000000       0.000000  
1 1 1 32 0  35 o 2.4060  1.3300 0.000000       0.000000  
1 1 1 32 0  36 o 1.4620  1.0030 0.000000       0.000000  
1 1 1 32 0  37 o 3.1360  1.4260 0.000000       0.000000  
1 1 1 32 0  38 o 9.4030  0.5984 0.000000       0.000000  
1 1 1 32 0  39 o 6.1620  0.8979 0.000000       0.000000  
1 1 1 32 0  40 o 8.1890  0.6745 0.000000       0.000000  
1 1 1 32 0  41 o 6.9160  0.8084 0.000000       0.000000  
1 1 1 32 1  0  o 3.7630  1.0110 0.000000       0.000000  
1 1 1 32 1  1  o 2.1630  0.6261 -0.7411000     1.252000  
1 1 1 32 1  2  o 2.1560  0.6170 -0.9516000     1.234000  
1 1 1 32 1  3  o 2.2220  0.5962 1.469000       1.192000  
1 1 1 32 1  4  o 2.4910  0.6294 -1.454000      1.259000  
1 1 1 32 1  5  o 4.2190  0.6129 -1.084000      1.226000  
1 1 1 32 1  6  o 10.300  0.2755 0.9748000      0.5510000 
1 1 1 32 1  7  o 2.1200  0.6437 0.1462000      1.287000  
1 1 1 32 1  8  o 4.8990  0.5734 0.7791000      1.147000  
1 1 1 32 1  9  o 7.3110  0.3844 -0.1474000     0.7688000 
1 1 1 32 1  10 o 3.3920  0.7153 -0.6012000     1.431000  
1 1 1 32 1  11 o 8.7710  0.3706 0.5633000      0.7413000 
1 1 1 32 1  12 o 9.4180  0.3168 -0.1838000     0.6335000 
1 1 1 32 1  13 o 4.0900  0.7642 -0.8344000     1.528000  
1 1 1 32 1  14 o 2.7400  0.7574 0.9471000      1.515000  
1 1 1 32 1  15 o 8.6070  0.4182 0.2325000      0.8364000 
1 1 1 32 1  16 o 8.0310  0.5577 0.3041000      1.115000  
1 1 1 32 1  17 o 4.2520  0.7807 -0.4229000E-01 1.561000  
1 1 1 32 1  18 o 2.8930  0.7636 -0.4081000E-01 1.527000  
1 1 1 32 1  19 o 2.1570  0.6955 0.3486000E-01  1.391000  
1 1 1 32 1  20 o 4.1600  0.8101 -1.324000      1.620000  
1 1 1 32 1  21 o 5.4850  0.7553 -1.202000      1.511000  
1 1 1 32 1  22 o 4.6510  0.6806 2.831000       1.361000  
1 1 1 32 1  23 o 2.9570  0.6828 -1.695000      1.366000  
1 1 1 32 1  24 o 4.6840  0.6667 -0.7150000     1.333000  
1 1 1 32 1  25 o 3.4470  0.7390 1.559000       1.478000  
1 1 1 32 1  26 o 4.5430  0.6701 1.553000       1.340000  
1 1 1 32 1  27 o 3.2700  0.7033 -1.651000      1.407000  
1 1 1 32 1  28 o 2.0880  0.6420 0.6563000      1.284000  
1 1 1 32 1  29 o 3.1020  0.7218 -0.6572000     1.444000  
1 1 1 32 1  30 o 4.3520  0.6310 -1.458000      1.262000  
1 1 1 32 1  31 o 2.6740  0.7135 -0.2904000     1.427000  
1 1 1 32 1  32 o 2.4460  0.6804 0.8164000      1.361000  
1 1 1 32 1  33 o 4.3320  0.6308 1.635000       1.262000  
1 1 1 32 1  34 o 4.8270  0.5978 -1.000000      1.196000  
1 1 1 32 1  35 o 5.6250  0.5819 -1.019000      1.164000  
1 1 1 32 1  36 o 3.9060  0.6836 1.320000       1.367000  
1 1 1 32 1  37 o 7.9840  0.4203 0.3809000      0.8407000 
1 1 1 32 1  38 o 2.2890  0.6538 1.351000       1.308000  
1 1 1 32 1  39 o 1.8800  0.6228 0.1042000      1.246000  
1 1 1 32 1  40 o 3.4320  0.7804 0.4163000      1.561000  
1 1 1 32 1  41 o 4.9040  0.5803 0.6515000      1.161000  
1 1 1 32 2  0  o 4.0820  0.9171 0.000000       0.000000  
1 1 1 32 2  1  o 5.7820  0.4251 -1.234000      0.8501000 
1 1 1 32 2  2  o 8.4300  0.3197 0.3203000      0.6393000 
1 1 1 32 2  3  o 4.9600  0.5190 0.8956000      1.038000  
1 1 1 32 2  4  o 3.5790  0.6694 0.5126000      1.339000  
1 1 1 32 2  5  o 5.4180  0.4787 -0.6922000     0.9574000 
1 1 1 32 2  6  o 4.8820  0.5283 1.152000       1.057000  
1 1 1 32 2  7  o 3.4540  0.6807 0.3260000      1.361000  
1 1 1 32 2  8  o 10.610  0.2673 0.6744000      0.5345000 
1 1 1 32 2  9  o 4.9080  0.5560 0.1878000      1.112000  
1 1 1 32 2  10 o 3.2910  0.7464 0.6049000      1.493000  
1 1 1 32 2  11 o 4.8140  0.6274 0.6140000      1.255000  
1 1 1 32 2  12 o 1.9450  0.6218 -0.2747000E-01 1.244000  
1 1 1 32 2  13 o 2.9310  0.7046 -1.058000      1.409000  
1 1 1 32 2  14 o 3.8460  0.7280 0.4601000      1.456000  
1 1 1 32 2  15 o 5.5350  0.6156 -3.214000      1.231000  
1 1 1 32 2  16 o 4.6370  0.8512 -0.3070000     1.702000  
1 1 1 32 2  17 o 5.3350  0.7857 -3.228000      1.571000  
1 1 1 32 2  18 o 4.6780  1.0240 ?              ?         
1 1 1 32 2  19 o 2.1790  0.7132 0.7291000      1.426000  
1 1 1 32 2  20 o 5.3690  0.7484 0.4666000      1.497000  
1 1 1 32 2  21 o 6.0360  0.6220 -2.549000      1.244000  
1 1 1 32 2  22 o 2.2940  0.6486 1.333000       1.297000  
1 1 1 32 2  23 o 2.0640  0.6329 0.7499000      1.266000  
1 1 1 32 2  24 o 3.9900  0.6688 0.4723000      1.338000  
1 1 1 32 2  25 o 2.7170  0.7131 0.2340000      1.426000  
1 1 1 32 2  26 o 3.9990  0.6271 2.474000       1.254000  
1 1 1 32 2  27 o 4.9670  0.5797 -1.956000      1.159000  
1 1 1 32 2  28 o 4.7570  0.5976 1.548000       1.195000  
1 1 1 32 2  29 o 3.3720  0.7239 -0.2196000     1.448000  
1 1 1 32 2  30 o 5.6590  0.4968 -0.6947000     0.9936000 
1 1 1 32 2  31 o 4.5100  0.6172 -1.826000      1.234000  
1 1 1 32 2  32 o 3.0830  0.7296 0.2263000      1.459000  
1 1 1 32 2  33 o 3.2050  0.7352 -1.213000      1.470000  
1 1 1 32 2  34 o 2.0710  0.6442 -0.4287000     1.288000  
1 1 1 32 2  35 o 2.4350  0.6847 -0.7610000     1.369000  
1 1 1 32 2  36 o 3.7370  0.7587 0.5060000      1.517000  
1 1 1 32 2  37 o 5.2050  0.6225 -0.1259000     1.245000  
1 1 1 32 2  38 o 2.5260  0.7403 -0.3673000     1.481000  
1 1 1 32 2  39 o 3.3570  0.7834 -0.9998000     1.567000  
1 1 1 32 2  40 o 2.4670  0.7336 -0.2920000     1.467000  
1 1 1 32 3  0  o 4.1440  1.0360 0.000000       0.000000  
1 1 1 32 3  1  o 10.760  0.2623 0.6100000      0.5245000 
1 1 1 32 3  2  o 3.6770  0.6620 0.9752000E-01  1.324000  
1 1 1 32 3  3  o 6.7150  0.3882 -0.7571000     0.7765000 
1 1 1 32 3  4  o 3.1120  0.6677 -1.198000      1.335000  
1 1 1 32 3  5  o 3.4740  0.6770 0.1427000      1.354000  
1 1 1 32 3  6  o 2.5420  0.6059 -1.860000      1.212000  
1 1 1 32 3  7  o 4.3920  0.5855 1.519000       1.171000  
1 1 1 32 3  8  o 5.8010  0.4834 0.9013000      0.9668000 
1 1 1 32 3  9  o 5.8680  0.4944 0.8878000      0.9889000 
1 1 1 32 3  10 o 7.1620  0.4139 -0.2446000     0.8278000 
1 1 1 32 3  11 o 4.2850  0.6025 0.5895000      1.205000  
1 1 1 32 3  12 o 5.4460  0.5963 1.772000       1.193000  
1 1 1 32 3  13 o 2.1380  0.6760 -0.7236000     1.352000  
1 1 1 32 3  14 o 10.080  0.3631 -0.8004000E-01 0.7261000 
1 1 1 32 3  15 o 3.9100  0.7795 -0.8246000     1.559000  
1 1 1 32 3  16 o 2.1310  0.6768 0.2203000      1.354000  
1 1 1 32 3  17 o 5.9110  0.6601 ?              ?         
1 1 1 32 3  18 o 4.3950  0.9077 ?              ?         
1 1 1 32 3  19 o 2.0890  0.6726 -0.8691000     1.345000  
1 1 1 32 3  20 o 2.0710  0.6559 0.5945000      1.312000  
1 1 1 32 3  21 o 4.4250  0.6946 0.8817000      1.389000  
1 1 1 32 3  22 o 4.6870  0.6619 -0.5252000     1.324000  
1 1 1 32 3  23 o 2.6790  0.6711 1.416000       1.342000  
1 1 1 32 3  24 o 7.1790  0.3937 -0.2127000     0.7874000 
1 1 1 32 3  25 o 5.4410  0.5133 0.1110000      1.027000  
1 1 1 32 3  26 f 2.4170  0.6835 0.6979000      1.367000  
1 1 1 32 3  27 o 3.1400  0.6995 -1.206000      1.399000  
1 1 1 32 3  28 o 2.5670  0.7069 0.1028000      1.414000  
1 1 1 32 3  29 o 2.0150  0.6320 -0.3365000     1.264000  
1 1 1 32 3  30 o 2.0410  0.6392 -0.3241000     1.278000  
1 1 1 32 3  31 o 2.4020  0.6677 -1.210000      1.335000  
1 1 1 32 3  32 o 3.4000  0.7735 0.3435000      1.547000  
1 1 1 32 3  33 o 3.5810  0.6708 -1.826000      1.342000  
1 1 1 32 3  34 o 3.1300  0.7554 0.6939000      1.511000  
1 1 1 32 3  35 o 2.0850  0.6590 0.2525000      1.318000  
1 1 1 32 3  36 o 2.2760  0.7010 -0.1146000     1.402000  
1 1 1 32 3  37 o 2.4070  0.7113 0.3412000      1.423000  
1 1 1 32 3  38 o 5.3220  0.6153 0.2919000E-01  1.231000  
1 1 1 32 3  39 o 3.0820  0.7791 0.8133000E-01  1.558000  
1 1 1 32 3  40 o 2.3210  0.6551 -1.223000      1.310000  
1 1 1 32 4  0  o 10.160  0.4039 0.000000       0.000000  
1 1 1 32 4  1  o 3.8200  0.6626 -1.127000      1.325000  
1 1 1 32 4  2  o 1.9750  0.6237 0.1034000E-01  1.247000  
1 1 1 32 4  3  o 2.6500  0.6384 -1.485000      1.277000  
1 1 1 32 4  4  o 8.2580  0.3182 0.6996000      0.6363000 
1 1 1 32 4  5  o 4.3510  0.5805 -0.1533000     1.161000  
1 1 1 32 4  6  o 3.1530  0.7077 0.6170000      1.415000  
1 1 1 32 4  7  o 6.3730  0.4538 -2.452000      0.9075000 
1 1 1 32 4  8  o 7.1060  0.4206 -0.3846000     0.8411000 
1 1 1 32 4  9  o 7.8830  0.3408 0.9779000      0.6816000 
1 1 1 32 4  10 o 3.3850  0.6898 0.6691000      1.380000  
1 1 1 32 4  11 o 2.7320  0.7444 0.4614000      1.489000  
1 1 1 32 4  12 o 3.0800  0.7580 0.6204000      1.516000  
1 1 1 32 4  13 o 4.0700  0.7594 0.8961000      1.519000  
1 1 1 32 4  14 o 3.7010  0.6946 -2.606000      1.389000  
1 1 1 32 4  15 o 6.7840  0.4850 -0.6182000     0.9700000 
1 1 1 32 4  16 o 5.0930  0.6492 -1.904000      1.298000  
1 1 1 32 4  17 o 3.2320  0.8354 0.9113000      1.671000  
1 1 1 32 4  18 o 3.4110  0.8403 0.7870000      1.681000  
1 1 1 32 4  19 o 2.1360  0.6963 0.2993000      1.393000  
1 1 1 32 4  20 o 2.6500  0.7360 0.2195000      1.472000  
1 1 1 32 4  21 o 2.3940  0.7152 -0.3320000     1.430000  
1 1 1 32 4  22 o 2.3550  0.7035 0.1566000      1.407000  
1 1 1 32 4  23 o 10.170  0.3370 -1.131000      0.6739000 
1 1 1 32 4  24 o 2.3480  0.6633 0.9970000      1.327000  
1 1 1 32 4  25 o 2.2760  0.6575 -0.9911000     1.315000  
1 1 1 32 4  26 o 7.1560  0.3930 0.6805000      0.7860000 
1 1 1 32 4  27 o 4.4540  0.6222 -1.052000      1.244000  
1 1 1 32 4  28 o 2.7800  0.7241 0.6398000E-01  1.448000  
1 1 1 32 4  29 o 6.2420  0.4476 0.6755000      0.8952000 
1 1 1 32 4  30 o 5.7500  0.5701 -0.9401000     1.140000  
1 1 1 32 4  31 o 4.0730  0.6828 -0.8614000     1.366000  
1 1 1 32 4  32 f 4.0200  0.6906 1.994000       1.381000  
1 1 1 32 4  33 o 2.7860  0.6970 1.378000       1.394000  
1 1 1 32 4  34 o 3.3790  0.7145 1.582000       1.429000  
1 1 1 32 4  35 o 3.2570  0.7142 1.573000       1.428000  
1 1 1 32 4  36 o 3.2410  0.7537 0.8273000      1.507000  
1 1 1 32 4  37 o 2.9120  0.7647 -1.208000      1.529000  
1 1 1 32 4  38 o 2.2940  0.6980 -1.438000      1.396000  
1 1 1 32 4  39 o 3.8740  0.7750 -0.8760000     1.550000  
1 1 1 32 4  40 o 4.0050  0.6770 1.282000       1.354000  
1 1 1 32 5  0  f 2.2610  1.1820 0.000000       0.000000  
1 1 1 32 5  1  o 5.8630  0.4535 1.033000       0.9070000 
1 1 1 32 5  2  o 6.3840  0.4175 0.9053000      0.8351000 
1 1 1 32 5  3  o 2.9570  0.6664 -1.590000      1.333000  
1 1 1 32 5  4  o 3.9460  0.6529 0.7335000      1.306000  
1 1 1 32 5  5  o 4.6640  0.5787 0.1596000      1.157000  
1 1 1 32 5  6  o 1.9260  0.6227 0.3602000      1.245000  
1 1 1 32 5  7  f 4.5130  0.6397 -1.153000      1.279000  
1 1 1 32 5  8  o 3.8150  0.6532 0.2353000      1.306000  
1 1 1 32 5  9  o 4.7550  0.5859 -1.209000      1.172000  
1 1 1 32 5  10 o 4.3330  0.6828 2.039000       1.366000  
1 1 1 32 5  11 o 2.7330  0.6112 -2.443000      1.222000  
1 1 1 32 5  12 o 2.1030  0.6663 0.3437000      1.333000  
1 1 1 32 5  13 o 5.3670  0.5938 -0.8017000     1.188000  
1 1 1 32 5  14 o 4.3860  0.6175 -3.503000      1.235000  
1 1 1 32 5  15 o 3.5720  0.7192 -1.480000      1.438000  
1 1 1 32 5  16 o 2.5520  0.6601 -1.754000      1.320000  
1 1 1 32 5  17 o 2.3490  0.7313 0.6406000E-02  1.463000  
1 1 1 32 5  18 o 7.7670  0.5068 0.1438000      1.014000  
1 1 1 32 5  19 o 3.1580  0.7716 0.7989000      1.543000  
1 1 1 32 5  20 o 2.3940  0.7022 1.148000       1.404000  
1 1 1 32 5  21 o 4.1480  0.7266 0.8601000      1.453000  
1 1 1 32 5  22 o 1.9960  0.6504 -0.6637000     1.301000  
1 1 1 32 5  23 o 2.3210  0.6468 1.282000       1.294000  
1 1 1 32 5  24 o 5.6800  0.4942 0.6154000      0.9883000 
1 1 1 32 5  25 o 1.9950  0.6304 -0.3464000     1.261000  
1 1 1 32 5  26 o 4.2110  0.6465 -0.1342000     1.293000  
1 1 1 32 5  27 o 3.1270  0.7146 0.8647000      1.429000  
1 1 1 32 5  28 o 3.2760  0.7106 0.9688000      1.421000  
1 1 1 32 5  29 o 2.4520  0.7409 0.1545000      1.482000  
1 1 1 32 5  30 o 5.5590  0.5778 -0.7536000     1.156000  
1 1 1 32 5  31 o 3.3850  0.7640 0.5598000      1.528000  
1 1 1 32 5  32 o 2.6040  0.7348 -1.117000      1.470000  
1 1 1 32 5  33 o 1.5990  0.5554 -0.3520000     1.111000  
1 1 1 32 5  34 o 2.5310  0.7191 -1.485000      1.438000  
1 1 1 32 5  35 o 6.2270  0.5369 -0.3022000E-01 1.074000  
1 1 1 32 5  36 o 3.2530  0.7848 -1.043000      1.570000  
1 1 1 32 5  37 o 2.5600  0.7460 -0.6582000     1.492000  
1 1 1 32 5  38 o 3.6680  0.6826 2.310000       1.365000  
1 1 1 32 5  39 o 6.0780  0.4961 1.738000       0.9922000 
1 1 1 32 5  40 o 2.6310  0.7760 0.3647000      1.552000  
1 1 1 32 6  0  o 4.5490  0.8735 0.000000       0.000000  
1 1 1 32 6  1  o 4.1810  0.6207 0.1298000E-01  1.241000  
1 1 1 32 6  2  o 2.7260  0.7002 1.670000       1.400000  
1 1 1 32 6  3  o 4.7050  0.5628 0.1425000      1.126000  
1 1 1 32 6  4  o 1.8460  0.5966 0.4097000      1.193000  
1 1 1 32 6  5  o 4.7340  0.6208 0.9347000      1.242000  
1 1 1 32 6  6  o 3.4370  0.7062 -0.2211000     1.412000  
1 1 1 32 6  7  o 8.9450  0.3201 0.3700000      0.6403000 
1 1 1 32 6  8  o 2.6880  0.6919 -1.018000      1.384000  
1 1 1 32 6  9  o 6.2190  0.4970 0.5989000      0.9941000 
1 1 1 32 6  10 f 5.8010  0.5419 1.472000       1.084000  
1 1 1 32 6  11 o 3.9490  0.7440 0.7714000      1.488000  
1 1 1 32 6  12 o 3.0320  0.7379 1.382000       1.476000  
1 1 1 32 6  13 o 2.7230  0.6146 2.281000       1.229000  
1 1 1 32 6  14 o 2.9850  0.7270 -1.102000      1.454000  
1 1 1 32 6  15 o 3.4550  0.7290 -1.154000      1.458000  
1 1 1 32 6  16 o 5.4620  0.5912 -1.757000      1.182000  
1 1 1 32 6  17 o 6.8390  0.4695 0.5514000      0.9390000 
1 1 1 32 6  18 o 4.0850  0.7244 -1.092000      1.449000  
1 1 1 32 6  19 o 7.9440  0.4094 0.3528000      0.8189000 
1 1 1 32 6  20 o 5.8230  0.5015 0.7263000E-01  1.003000  
1 1 1 32 6  21 o 8.4180  0.4090 -0.6696000     0.8181000 
1 1 1 32 6  22 o 2.6990  0.7349 1.418000       1.470000  
1 1 1 32 6  23 o 2.1140  0.6287 -1.501000      1.257000  
1 1 1 32 6  24 o 2.2850  0.6759 0.6522000      1.352000  
1 1 1 32 6  25 o 2.2800  0.6756 0.1528000E-01  1.351000  
1 1 1 32 6  26 o 3.5470  0.6719 -1.534000      1.344000  
1 1 1 32 6  27 o 2.6760  0.7193 1.697000       1.439000  
1 1 1 32 6  28 o 4.4800  0.8553 ?              ?         
1 1 1 32 6  29 o 1.7420  0.5915 -0.5667000     1.183000  
1 1 1 32 6  30 o 2.8720  0.7586 -0.8291000     1.517000  
1 1 1 32 6  31 o 2.3890  0.7134 -0.2162000     1.427000  
1 1 1 32 6  32 o 4.0760  0.7320 -1.384000      1.464000  
1 1 1 32 6  33 o 2.8270  0.7441 0.6602000      1.488000  
1 1 1 32 6  34 o 2.8060  0.7679 -0.9080000     1.536000  
1 1 1 32 6  35 o 3.9750  0.7269 1.561000       1.454000  
1 1 1 32 6  36 o 2.4600  0.7379 -0.4552000     1.476000  
1 1 1 32 6  37 o 2.4970  0.7260 0.4420000      1.452000  
1 1 1 32 6  38 o 2.4210  0.6730 1.170000       1.346000  
1 1 1 32 6  39 o 1.9300  0.6169 0.6216000      1.234000  
1 1 1 32 7  0  o 1.2210  0.8420 0.000000       0.000000  
1 1 1 32 7  1  o 3.9590  0.6389 0.8611000      1.278000  
1 1 1 32 7  2  f 3.4600  0.6344 2.023000       1.269000  
1 1 1 32 7  3  o 5.8960  0.4878 0.5286000      0.9757000 
1 1 1 32 7  4  o 11.640  0.2841 -0.1111000     0.5683000 
1 1 1 32 7  5  o 4.5530  0.5845 -0.1855000     1.169000  
1 1 1 32 7  6  o 3.7510  0.6735 -0.5082000E-02 1.347000  
1 1 1 32 7  7  o 4.9530  0.5548 -0.5362000     1.110000  
1 1 1 32 7  8  o 2.7060  0.7429 -0.8425000E-01 1.486000  
1 1 1 32 7  9  o 3.1330  0.7437 1.394000       1.487000  
1 1 1 32 7  10 o 8.3010  0.3827 -0.8575000     0.7654000 
1 1 1 32 7  11 o 5.5270  0.5338 -2.461000      1.068000  
1 1 1 32 7  12 o 2.9380  0.7376 0.3748000      1.475000  
1 1 1 32 7  13 o 5.2290  0.6372 -1.088000      1.274000  
1 1 1 32 7  14 o 2.9900  0.7554 -0.5046000     1.511000  
1 1 1 32 7  15 o 3.2610  0.7446 -0.6795000     1.489000  
1 1 1 32 7  16 o 2.3170  0.6818 -0.2086000     1.364000  
1 1 1 32 7  17 o 3.6530  0.7170 -0.3852000     1.434000  
1 1 1 32 7  18 f 6.7890  0.4612 0.1376000      0.9224000 
1 1 1 32 7  19 o 4.7760  0.6404 3.008000       1.281000  
1 1 1 32 7  20 o 3.5430  0.7214 -0.7800000     1.443000  
1 1 1 32 7  21 o 7.4590  0.4439 -0.6738000     0.8877000 
1 1 1 32 7  22 o 2.7810  0.7610 -0.6850000E-01 1.522000  
1 1 1 32 7  23 o 8.6570  0.3823 0.4119000      0.7646000 
1 1 1 32 7  24 o 2.5960  0.7122 0.6192000E-01  1.424000  
1 1 1 32 7  25 f 2.7920  0.8061 -0.6788000     1.612000  
1 1 1 32 7  26 o 2.9080  0.7835 0.6273000      1.567000  
1 1 1 32 7  27 o 2.8980  0.7473 -1.017000      1.495000  
1 1 1 32 7  28 o 2.0010  0.6414 -1.191000      1.283000  
1 1 1 32 7  29 o 6.9810  0.4506 -0.8322000     0.9013000 
1 1 1 32 7  30 o 3.7390  0.7381 0.9024000      1.476000  
1 1 1 32 7  31 o 3.4240  0.7731 -0.3357000     1.546000  
1 1 1 32 7  32 o 2.5380  0.7370 -0.3496000     1.474000  
1 1 1 32 7  33 o 3.2820  0.6802 2.049000       1.360000  
1 1 1 32 7  34 o 5.6370  0.6407 2.044000       1.281000  
1 1 1 32 7  35 o 5.1050  0.6533 -0.6475000E-01 1.307000  
1 1 1 32 7  36 o 2.5220  0.7439 -0.6791000     1.488000  
1 1 1 32 7  37 o 6.1420  0.5382 -0.4812000     1.076000  
1 1 1 32 7  38 o 3.6340  0.7519 1.156000       1.504000  
1 1 1 32 8  0  o 4.5350  0.8949 0.000000       0.000000  
1 1 1 32 8  1  o 5.9720  0.4400 0.1134000      0.8800000 
1 1 1 32 8  2  o 3.0400  0.7190 -0.7403000     1.438000  
1 1 1 32 8  3  f 3.1430  0.7046 0.2624000      1.409000  
1 1 1 32 8  4  o 5.2220  0.5108 1.172000       1.022000  
1 1 1 32 8  5  o 2.9230  0.7053 0.2224000      1.411000  
1 1 1 32 8  6  o 2.5090  0.6792 0.7495000      1.358000  
1 1 1 32 8  7  o 5.4810  0.5700 -0.5610000     1.140000  
1 1 1 32 8  8  o 2.6590  0.7361 -0.2286000     1.472000  
1 1 1 32 8  9  o 6.8080  0.4897 -1.004000      0.9794000 
1 1 1 32 8  10 o 3.5830  0.7556 -0.5728000     1.511000  
1 1 1 32 8  11 o 7.2980  0.4003 0.8482000      0.8005000 
1 1 1 32 8  12 o 4.0850  0.6867 2.110000       1.373000  
1 1 1 32 8  13 o 4.3380  0.6702 1.914000       1.340000  
1 1 1 32 8  14 o 4.1200  0.6661 -1.024000      1.332000  
1 1 1 32 8  15 o 4.7480  0.5911 -0.6472000     1.182000  
1 1 1 32 8  16 o 4.9290  0.5355 -0.6126000     1.071000  
1 1 1 32 8  17 o 4.3250  0.6570 0.2121000      1.314000  
1 1 1 32 8  18 o 2.5190  0.7054 -0.1646000     1.411000  
1 1 1 32 8  19 o 3.7750  0.6479 -1.214000      1.296000  
1 1 1 32 8  20 o 3.3960  0.7312 1.185000       1.462000  
1 1 1 32 8  21 o 2.4910  0.7003 0.8558000      1.401000  
1 1 1 32 8  22 o 8.0400  0.4116 -0.7735000     0.8232000 
1 1 1 32 8  23 o 3.6050  0.7583 -1.238000      1.517000  
1 1 1 32 8  24 o 3.1600  0.8156 -0.2338000     1.631000  
1 1 1 32 8  25 o 9.8270  0.3843 0.7756000      0.7686000 
1 1 1 32 8  26 o 3.9020  0.6906 2.021000       1.381000  
1 1 1 32 8  27 o 2.8090  0.7981 -0.3059000     1.596000  
1 1 1 32 8  28 o 3.6710  0.7507 -0.7724000     1.501000  
1 1 1 32 8  29 o 3.3390  0.7279 1.086000       1.456000  
1 1 1 32 8  30 o 3.1090  0.7706 -0.3756000     1.541000  
1 1 1 32 8  31 o 2.6970  0.7245 0.7988000      1.449000  
1 1 1 32 8  32 o 3.0190  0.7313 1.187000       1.463000  
1 1 1 32 8  33 o 4.7870  0.6874 0.1812000      1.375000  
1 1 1 32 8  34 o 1.8630  0.6154 0.2842000      1.231000  
1 1 1 32 8  35 o 2.6160  0.7441 0.1198000      1.488000  
1 1 1 32 8  36 o 5.0400  0.6571 1.530000       1.314000  
1 1 1 32 8  37 o 3.5240  0.7730 0.2279000      1.546000  
1 1 1 32 8  38 o 3.4990  0.7081 -1.389000      1.416000  
1 1 1 32 9  0  o 2.5360  1.3030 0.000000       0.000000  
1 1 1 32 9  1  o 2.6300  0.7234 0.5144000      1.447000  
1 1 1 32 9  2  o 8.8430  0.3148 0.1902000      0.6296000 
1 1 1 32 9  3  o 3.5290  0.6941 -0.1786000     1.388000  
1 1 1 32 9  4  o 6.2760  0.4260 0.1586000      0.8520000 
1 1 1 32 9  5  o 8.6290  0.3202 -0.2515000     0.6404000 
1 1 1 32 9  6  o 5.1570  0.5282 0.8958000E-01  1.056000  
1 1 1 32 9  7  o 3.2000  0.7626 -1.018000      1.525000  
1 1 1 32 9  8  o 2.6480  0.7439 -0.6420000     1.488000  
1 1 1 32 9  9  o 7.1010  0.5265 0.1731000      1.053000  
1 1 1 32 9  10 o 2.3830  0.7043 0.1063000      1.409000  
1 1 1 32 9  11 o 3.1030  0.7845 -0.6725000     1.569000  
1 1 1 32 9  12 o 2.7590  0.7546 -0.3653000     1.509000  
1 1 1 32 9  13 o 4.6410  0.6625 -1.090000      1.325000  
1 1 1 32 9  14 o 2.9130  0.6943 1.063000       1.389000  
1 1 1 32 9  15 o 5.4810  0.4926 1.871000       0.9851000 
1 1 1 32 9  16 o 8.0140  0.3351 0.1729000      0.6702000 
1 1 1 32 9  17 o 2.3610  0.6441 -1.176000      1.288000  
1 1 1 32 9  18 o 3.5230  0.7072 1.311000       1.414000  
1 1 1 32 9  19 o 1.9210  0.6082 -0.1692000E-01 1.216000  
1 1 1 32 9  20 o 3.4210  0.7002 -1.300000      1.400000  
1 1 1 32 9  21 o 5.8460  0.7323 0.8013000      1.465000  
1 1 1 32 9  22 o 3.6590  0.8634 -0.2930000     1.727000  
1 1 1 32 9  23 o 2.9980  0.7329 2.091000       1.466000  
1 1 1 32 9  24 o 2.7200  0.7128 0.8865000      1.426000  
1 1 1 32 9  25 o 2.7400  0.7385 0.2581000      1.477000  
1 1 1 32 9  26 o 2.7900  0.6748 -2.456000      1.350000  
1 1 1 32 9  27 o 7.6110  0.4695 1.275000       0.9391000 
1 1 1 32 9  28 o 4.9040  0.7715 0.5053000      1.543000  
1 1 1 32 9  29 o 4.0520  0.7634 1.526000       1.527000  
1 1 1 32 9  30 o 2.7980  0.6670 1.804000       1.334000  
1 1 1 32 9  31 o 4.7640  0.6808 0.6186000      1.362000  
1 1 1 32 9  32 o 4.4630  0.7068 -1.954000      1.414000  
1 1 1 32 9  33 o 3.0200  0.7665 1.018000       1.533000  
1 1 1 32 9  34 o 5.5640  0.5888 -0.1136000     1.178000  
1 1 1 32 9  35 o 2.4590  0.7247 -0.1094000     1.449000  
1 1 1 32 9  36 o 1.7260  0.5762 -0.1698000     1.152000  
1 1 1 32 9  37 o 2.4210  0.6851 0.7699000      1.370000  
1 1 1 32 10 0  o 2.0930  1.1640 0.000000       0.000000  
1 1 1 32 10 1  o 2.1460  0.6635 -0.6259000     1.327000  
1 1 1 32 10 2  o 4.6570  0.5789 -0.2251000     1.158000  
1 1 1 32 10 3  o 4.7670  0.6076 -0.6497000     1.215000  
1 1 1 32 10 4  o 5.5120  0.5387 -1.326000      1.077000  
1 1 1 32 10 5  o 2.2720  0.6824 0.3230000      1.365000  
1 1 1 32 10 6  o 3.3950  0.8113 1.612000       1.623000  
1 1 1 32 10 7  o 3.5580  0.8064 1.483000       1.613000  
1 1 1 32 10 8  o 3.8900  0.7548 -1.425000      1.510000  
1 1 1 32 10 9  o 5.7130  0.4822 -0.3529000E-01 0.9645000 
1 1 1 32 10 10 o 8.9780  0.3258 0.6253000E-01  0.6515000 
1 1 1 32 10 11 o 3.1160  0.7726 -0.3434000     1.545000  
1 1 1 32 10 12 o 3.2670  0.7645 0.2095000      1.529000  
1 1 1 32 10 13 o 2.7400  0.7461 -0.8238000     1.492000  
1 1 1 32 10 14 o 2.6620  0.6726 1.313000       1.345000  
1 1 1 32 10 15 o 5.7300  0.4816 0.8114000      0.9633000 
1 1 1 32 10 16 o 2.2300  0.6340 -0.9620000     1.268000  
1 1 1 32 10 17 o 1.6900  0.5685 0.3393000      1.137000  
1 1 1 32 10 18 o 3.4890  0.6627 -1.609000      1.325000  
1 1 1 32 10 19 o 3.7360  0.6765 -0.3196000E-01 1.353000  
1 1 1 32 10 20 o 2.1140  0.6607 -1.006000      1.321000  
1 1 1 32 10 21 o 3.2360  0.8078 0.1136000      1.616000  
1 1 1 32 10 22 o 5.3140  0.6493 2.572000       1.299000  
1 1 1 32 10 23 o 7.5590  0.4248 0.4262000E-01  0.8497000 
1 1 1 32 10 24 o 3.1880  0.7634 -0.5420000     1.527000  
1 1 1 32 10 25 f 2.9270  0.7556 -0.8115000     1.511000  
1 1 1 32 10 26 o 6.4030  0.4915 -0.1346000     0.9830000 
1 1 1 32 10 27 o 4.4120  0.6917 1.421000       1.383000  
1 1 1 32 10 28 o 2.9410  0.7656 1.089000       1.531000  
1 1 1 32 10 29 o 2.2420  0.6791 0.5724000      1.358000  
1 1 1 32 10 30 o 2.1320  0.7119 -0.8513000     1.424000  
1 1 1 32 10 31 o 1.9570  0.6439 -0.5944000     1.288000  
1 1 1 32 10 32 o 2.3200  0.7065 -0.2472000     1.413000  
1 1 1 32 10 33 o 2.5980  0.6480 1.727000       1.296000  
1 1 1 32 10 34 o 2.3960  0.6656 1.196000       1.331000  
1 1 1 32 10 35 o 2.5050  0.7087 0.6889000      1.417000  
1 1 1 32 10 36 o 2.0070  0.6274 -0.8204000     1.255000  
1 1 1 32 11 0  o 1.9130  1.1600 0.000000       0.000000  
1 1 1 32 11 1  o 3.7700  0.7536 -0.6857000     1.507000  
1 1 1 32 11 2  o 6.2110  0.5119 0.5626000      1.024000  
1 1 1 32 11 3  o 2.4750  0.7191 0.3828000      1.438000  
1 1 1 32 11 4  o 5.7520  0.5045 -0.1036000     1.009000  
1 1 1 32 11 5  o 5.3190  0.5512 0.2471000      1.102000  
1 1 1 32 11 6  o 8.0440  0.4033 -0.3556000     0.8067000 
1 1 1 32 11 7  o 3.4140  0.7113 -1.391000      1.423000  
1 1 1 32 11 8  o 2.5560  0.7006 -0.8254000     1.401000  
1 1 1 32 11 9  o 5.0510  0.5358 -0.3351000     1.072000  
1 1 1 32 11 10 o 4.6840  0.6448 -0.7186000     1.290000  
1 1 1 32 11 11 o 3.4430  0.7513 0.3136000      1.503000  
1 1 1 32 11 12 o 5.1400  0.6220 0.4883000      1.244000  
1 1 1 32 11 13 o 2.4820  0.6995 -0.5899000E-02 1.399000  
1 1 1 32 11 14 o 3.1820  0.5875 2.734000       1.175000  
1 1 1 32 11 15 o 3.3530  0.6565 -2.090000      1.313000  
1 1 1 32 11 16 o 2.0210  0.6447 0.3716000      1.289000  
1 1 1 32 11 17 o 4.3460  0.6898 -2.318000      1.380000  
1 1 1 32 11 18 o 3.3130  0.7475 1.347000       1.495000  
1 1 1 32 11 19 o 2.6620  0.7371 -0.2588000     1.474000  
1 1 1 32 11 20 o 2.8900  0.7833 -0.3689000     1.567000  
1 1 1 32 11 21 o 2.3760  0.6942 0.7641000      1.388000  
1 1 1 32 11 22 o 2.4900  0.6181 1.782000       1.236000  
1 1 1 32 11 23 o 2.6680  0.6998 0.1225000      1.400000  
1 1 1 32 11 24 o 3.2700  0.7406 0.7208000      1.481000  
1 1 1 32 11 25 o 8.4760  0.3856 -0.6728000     0.7712000 
1 1 1 32 11 26 o 2.3520  0.6639 1.108000       1.328000  
1 1 1 32 11 27 o 3.3970  0.7165 1.379000       1.433000  
1 1 1 32 11 28 o 3.9910  0.7312 0.6266000      1.462000  
1 1 1 32 11 29 o 4.1470  0.7288 0.7743000      1.458000  
1 1 1 32 11 30 f 4.0150  0.7361 -2.363000      1.472000  
1 1 1 32 11 31 o 2.6330  0.7985 -0.9566000     1.597000  
1 1 1 32 11 32 o 2.4100  0.7170 -1.035000      1.434000  
1 1 1 32 11 33 o 1.9840  0.6272 0.3191000      1.254000  
1 1 1 32 11 34 o 1.7620  0.5839 0.2223000      1.168000  
1 1 1 32 11 35 f 2.9420  0.7041 -0.1062000     1.408000  
1 1 1 32 12 0  o 2.6870  1.3220 0.000000       0.000000  
1 1 1 32 12 1  o 4.9060  0.6121 1.240000       1.224000  
1 1 1 32 12 2  o 6.3780  0.4633 -1.583000      0.9266000 
1 1 1 32 12 3  o 1.9880  0.6488 -0.4143000     1.298000  
1 1 1 32 12 4  o 6.6430  0.4711 1.672000       0.9422000 
1 1 1 32 12 5  o 4.0060  0.6980 0.4820000      1.396000  
1 1 1 32 12 6  o 3.3490  0.7874 0.6375000      1.575000  
1 1 1 32 12 7  o 3.5410  0.7840 0.8776000      1.568000  
1 1 1 32 12 8  f 5.1490  0.6577 2.144000       1.315000  
1 1 1 32 12 9  o 2.4530  0.7032 0.3685000      1.406000  
1 1 1 32 12 10 o 4.9720  0.7281 -0.6051000     1.456000  
1 1 1 32 12 11 o 4.4530  0.7491 1.814000       1.498000  
1 1 1 32 12 12 o 3.0620  0.7312 1.281000       1.462000  
1 1 1 32 12 13 o 2.5870  0.7154 -0.9789000     1.431000  
1 1 1 32 12 14 o 3.6420  0.7200 0.7047000      1.440000  
1 1 1 32 12 15 o 3.7360  0.6664 -2.746000      1.333000  
1 1 1 32 12 16 o 2.5750  0.7380 0.6377000      1.476000  
1 1 1 32 12 17 o 3.9780  0.7546 -0.9151000     1.509000  
1 1 1 32 12 18 o 4.6110  0.7300 1.594000       1.460000  
1 1 1 32 12 19 o 2.5740  0.7735 -0.9324000     1.547000  
1 1 1 32 12 20 o 4.7320  0.7625 ?              ?         
1 1 1 32 12 21 o 2.8070  0.6619 1.620000       1.324000  
1 1 1 32 12 22 o 2.2040  0.6549 -0.4255000     1.310000  
1 1 1 32 12 23 o 4.2540  0.6156 -0.8177000     1.231000  
1 1 1 32 12 24 o 2.2650  0.6463 0.9286000      1.293000  
1 1 1 32 12 25 o 5.3240  0.5247 0.2247000      1.049000  
1 1 1 32 12 26 o 5.4780  0.5136 0.5600000      1.027000  
1 1 1 32 12 27 f 1.9810  0.6255 0.3534000      1.251000  
1 1 1 32 12 28 o 4.7340  0.5964 -0.7968000     1.193000  
1 1 1 32 12 29 o 3.9160  0.6799 -1.078000      1.360000  
1 1 1 32 12 30 o 1.8440  0.5997 0.2944000      1.199000  
1 1 1 32 12 31 o 4.2200  0.7130 -0.1273000     1.426000  
1 1 1 32 12 32 o 2.4520  0.7041 -0.4474000     1.408000  
1 1 1 32 12 33 o 4.3940  0.7178 0.7766000E-01  1.436000  
1 1 1 32 12 34 o 3.5560  0.8954 -1.314000      1.791000  
1 1 1 32 13 0  o 1.5990  1.0190 0.000000       0.000000  
1 1 1 32 13 1  o 8.1630  0.3439 0.1536000      0.6878000 
1 1 1 32 13 2  f 10.200  0.2907 1.099000       0.5814000 
1 1 1 32 13 3  o 2.9780  0.6908 -1.267000      1.382000  
1 1 1 32 13 4  o 3.0680  0.7184 0.4285000      1.437000  
1 1 1 32 13 5  o 6.5650  0.4708 1.121000       0.9415000 
1 1 1 32 13 6  o 3.2340  0.7595 1.765000       1.519000  
1 1 1 32 13 7  o 2.3740  0.7146 0.1235000      1.429000  
1 1 1 32 13 8  o 2.4690  0.6871 0.7193000      1.374000  
1 1 1 32 13 9  o 2.3560  0.6874 -1.360000      1.375000  
1 1 1 32 13 10 o 5.7000  0.6672 0.3086000E-01  1.334000  
1 1 1 32 13 11 o 3.5600  0.7598 1.251000       1.520000  
1 1 1 32 13 12 o 2.6910  0.7372 -0.7685000     1.474000  
1 1 1 32 13 13 o 4.8730  0.6140 0.1043000      1.228000  
1 1 1 32 13 14 o 2.6920  0.7203 0.4107000      1.441000  
1 1 1 32 13 15 o 6.5590  0.5114 -1.683000      1.023000  
1 1 1 32 13 16 o 2.7180  0.7624 -0.6964000     1.525000  
1 1 1 32 13 17 o 2.1080  0.6578 1.074000       1.316000  
1 1 1 32 13 18 o 2.5370  0.7749 -0.4183000     1.550000  
1 1 1 32 13 19 o 2.2710  0.7115 -0.8905000E-01 1.423000  
1 1 1 32 13 20 o 3.0440  0.7515 0.1046000      1.503000  
1 1 1 32 13 21 f 3.0050  0.6522 1.773000       1.304000  
1 1 1 32 13 22 o 2.0690  0.6242 -1.025000      1.248000  
1 1 1 32 13 23 f 2.2080  0.6595 0.2393000      1.319000  
1 1 1 32 13 24 o 2.9550  0.6808 0.8075000      1.362000  
1 1 1 32 13 25 o 2.5230  0.6242 -1.825000      1.248000  
1 1 1 32 13 26 o 4.2970  0.5827 -0.3172000     1.165000  
1 1 1 32 13 27 o 2.1940  0.6588 -0.8080000     1.318000  
1 1 1 32 13 28 o 4.8990  0.5800 0.8012000      1.160000  
1 1 1 32 13 29 o 2.2460  0.5920 1.881000       1.184000  
1 1 1 32 13 30 o 2.5150  0.7036 -0.5514000     1.407000  
1 1 1 32 13 31 o 2.7280  0.6992 0.8779000      1.398000  
1 1 1 32 13 32 o 2.1010  0.6438 0.5947000      1.288000  
1 1 1 32 14 0  o 2.3220  1.2010 0.000000       0.000000  
1 1 1 32 14 1  o 3.2740  0.7150 0.2881000      1.430000  
1 1 1 32 14 2  o 6.8760  0.4094 1.442000       0.8187000 
1 1 1 32 14 3  o 3.3990  0.6778 1.587000       1.356000  
1 1 1 32 14 4  o 5.1450  0.5051 1.195000       1.010000  
1 1 1 32 14 5  o 1.6490  0.5512 0.3552000      1.102000  
1 1 1 32 14 6  o 5.0470  0.6134 -0.9759000     1.227000  
1 1 1 32 14 7  o 2.1660  0.6743 0.2204000E-01  1.349000  
1 1 1 32 14 8  o 3.1550  0.6174 -1.948000      1.235000  
1 1 1 32 14 9  o 2.9740  0.6838 -0.6826000     1.368000  
1 1 1 32 14 10 o 4.7010  0.5892 -0.5440000E-01 1.178000  
1 1 1 32 14 11 o 4.0030  0.7126 0.6713000      1.425000  
1 1 1 32 14 12 o 2.2730  0.6448 1.124000       1.290000  
1 1 1 32 14 13 o 4.9780  0.5488 0.4583000      1.098000  
1 1 1 32 14 14 o 3.2530  0.6604 -1.864000      1.321000  
1 1 1 32 14 15 o 2.9940  0.6935 -1.902000      1.387000  
1 1 1 32 14 16 o 3.1520  0.7487 -0.6637000     1.497000  
1 1 1 32 14 17 o 3.1780  0.7704 0.9250000E-01  1.541000  
1 1 1 32 14 18 o 6.2900  0.6653 2.389000       1.331000  
1 1 1 32 14 19 o 4.1210  0.7822 0.4202000      1.564000  
1 1 1 32 14 20 o 2.9200  0.7094 0.7547000      1.419000  
1 1 1 32 14 21 o 4.3940  0.6251 1.442000       1.250000  
1 1 1 32 14 22 f 2.6420  0.7073 0.1521000      1.415000  
1 1 1 32 14 23 o 2.3700  0.6845 0.1303000      1.369000  
1 1 1 32 14 24 o 2.6500  0.6863 -1.137000      1.373000  
1 1 1 32 14 25 o 2.3670  0.6803 -0.4563000     1.361000  
1 1 1 32 14 26 o 2.1140  0.6213 1.090000       1.243000  
1 1 1 32 14 27 o 1.9170  0.5974 -0.3921000     1.195000  
1 1 1 32 14 28 o 1.7740  0.5829 0.3016000      1.166000  
1 1 1 32 14 29 o 1.9350  0.6224 -0.3710000     1.245000  
1 1 1 32 14 30 o 4.9490  0.5721 -0.9161000     1.144000  
1 1 1 32 14 31 o 3.7470  0.7506 0.8101000      1.501000  
1 1 1 32 15 0  o 6.2660  0.5386 0.000000       0.000000  
1 1 1 32 15 1  o 3.0860  0.6510 -0.9082000     1.302000  
1 1 1 32 15 2  o 6.3370  0.3722 -0.1691000     0.7445000 
1 1 1 32 15 3  o 2.6220  0.6684 0.1878000      1.337000  
1 1 1 32 15 4  o 3.2220  0.6717 -0.7111000     1.343000  
1 1 1 32 15 5  o 3.9040  0.6119 1.931000       1.224000  
1 1 1 32 15 6  o 2.8380  0.6905 0.5625000      1.381000  
1 1 1 32 15 7  o 2.8570  0.6817 1.054000       1.363000  
1 1 1 32 15 8  o 3.6470  0.6013 -2.790000      1.203000  
1 1 1 32 15 9  o 3.6240  0.6510 -0.3049000     1.302000  
1 1 1 32 15 10 o 2.7010  0.7045 0.9224000      1.409000  
1 1 1 32 15 11 o 4.5990  0.6212 -0.1829000     1.242000  
1 1 1 32 15 12 o 3.2520  0.6284 -3.109000      1.257000  
1 1 1 32 15 13 o 4.1410  0.6504 -0.8082000     1.301000  
1 1 1 32 15 14 o 2.7620  0.7046 0.6900000      1.409000  
1 1 1 32 15 15 o 2.7910  0.9877 ?              ?         
1 1 1 32 15 16 o 2.7850  0.6805 1.053000       1.361000  
1 1 1 32 15 17 o 2.5990  0.7170 0.3975000      1.434000  
1 1 1 32 15 18 o 2.9590  0.7548 0.2392000      1.510000  
1 1 1 32 15 19 o 2.2090  0.8862 ?              ?         
1 1 1 32 15 20 o 2.0830  0.6352 -0.3716000     1.270000  
1 1 1 32 15 21 o 4.3180  0.5852 -0.2109000     1.170000  
1 1 1 32 15 22 f 2.3950  0.6645 0.1854000      1.329000  
1 1 1 32 15 23 o 2.5860  0.6287 1.318000       1.257000  
1 1 1 32 15 24 o 4.2110  0.5958 2.381000       1.192000  
1 1 1 32 15 25 o 1.5630  0.5300 -0.2579000     1.060000  
1 1 1 32 15 26 o 2.6300  0.6980 -0.7782000     1.396000  
1 1 1 32 15 27 o 2.5350  0.6923 -0.3728000     1.385000  
1 1 1 32 15 28 o 3.1210  0.6353 -1.913000      1.271000  
1 1 1 32 15 29 o 3.9970  0.6889 1.079000       1.378000  
1 1 1 32 16 0  o 5.6390  0.5931 0.000000       0.000000  
1 1 1 32 16 1  o 7.8720  0.3049 0.1233000      0.6097000 
1 1 1 32 16 2  o 2.1670  0.6296 0.1205000      1.259000  
1 1 1 32 16 3  o 4.8690  0.4818 0.8627000      0.9637000 
1 1 1 32 16 4  o 4.5810  0.5472 -0.4611000     1.094000  
1 1 1 32 16 5  o 2.0350  0.6212 -0.6776000E-01 1.242000  
1 1 1 32 16 6  o 3.1440  0.6911 0.3023000      1.382000  
1 1 1 32 16 7  o 4.7050  0.5407 0.4311000      1.081000  
1 1 1 32 16 8  o 6.1190  0.4489 1.450000       0.8979000 
1 1 1 32 16 9  o 2.2980  0.6508 1.043000       1.302000  
1 1 1 32 16 10 o 2.9850  0.7164 0.3731000      1.433000  
1 1 1 32 16 11 o 4.8720  0.6678 ?              ?         
1 1 1 32 16 12 o 5.2560  0.5347 0.6815000      1.069000  
1 1 1 32 16 13 o 4.0770  0.6904 -0.5697000     1.381000  
1 1 1 32 16 14 o 2.3590  0.6775 0.4208000      1.355000  
1 1 1 32 16 15 o 1.9690  0.6171 0.5393000      1.234000  
1 1 1 32 16 16 o 5.5570  0.5646 1.371000       1.129000  
1 1 1 32 16 17 o 3.4230  0.6216 2.440000       1.243000  
1 1 1 32 16 18 o 3.9900  0.6947 0.7097000      1.389000  
1 1 1 32 16 19 o 2.9880  0.6950 -0.5551000     1.390000  
1 1 1 32 16 20 o 3.3480  0.6811 0.2364000      1.362000  
1 1 1 32 16 21 o 1.6040  0.5270 0.6979000      1.054000  
1 1 1 32 16 22 o 2.5680  0.6500 0.8938000      1.300000  
1 1 1 32 16 23 o 2.3750  0.6661 -0.3752000     1.332000  
1 1 1 32 16 24 o 3.3670  0.6745 -0.4425000     1.349000  
1 1 1 32 16 25 o 3.6010  0.6479 0.5866000      1.296000  
1 1 1 32 16 26 o 1.9990  0.6295 0.1805000      1.259000  
1 1 1 32 16 27 o 2.9380  0.6495 -2.063000      1.299000  
1 1 1 32 17 0  o 1.9420  1.0800 0.000000       0.000000  
1 1 1 32 17 1  o 3.1880  0.6517 -0.3115000     1.303000  
1 1 1 32 17 2  o 4.5610  0.5194 -1.014000      1.039000  
1 1 1 32 17 3  o 6.2900  0.3739 0.1836000      0.7479000 
1 1 1 32 17 4  o 5.5310  0.4300 -1.163000      0.8600000 
1 1 1 32 17 5  o 4.9690  0.5188 1.418000       1.038000  
1 1 1 32 17 6  o 5.5670  0.4606 0.7383000      0.9212000 
1 1 1 32 17 7  o 2.4000  0.6501 -1.302000      1.300000  
1 1 1 32 17 8  f 4.6210  0.6724 -0.7165000     1.345000  
1 1 1 32 17 9  o 4.3140  0.5880 -0.7423000     1.176000  
1 1 1 32 17 10 o 3.2390  0.7550 0.4615000      1.510000  
1 1 1 32 17 11 o 2.6370  0.7246 -0.5577000     1.449000  
1 1 1 32 17 12 o 2.3310  0.6912 -0.4063000     1.382000  
1 1 1 32 17 13 o 1.6380  0.5513 -0.2494000     1.103000  
1 1 1 32 17 14 o 2.4030  0.6710 0.6559000      1.342000  
1 1 1 32 17 15 f 1.6760  0.5546 0.7028000E-01  1.109000  
1 1 1 32 17 16 o 3.2020  0.7461 -2.869000      1.492000  
1 1 1 32 17 17 o 3.1240  0.7930 -1.469000      1.586000  
1 1 1 32 17 18 o 4.8490  0.5707 1.683000       1.141000  
1 1 1 32 17 19 o 2.9460  0.6949 -0.8291000     1.390000  
1 1 1 32 17 20 o 4.0620  0.6184 0.1423000      1.237000  
1 1 1 32 17 21 o 5.9060  0.4394 0.5607000      0.8789000 
1 1 1 32 17 22 o 2.1730  0.6281 -1.288000      1.256000  
1 1 1 32 17 23 o 2.8860  0.6842 -0.9281000     1.368000  
1 1 1 32 17 24 o 3.9440  0.6163 1.129000       1.233000  
1 1 1 32 18 0  o 1.4690  0.9372 0.000000       0.000000  
1 1 1 32 18 1  o 2.9930  0.6550 -0.7079000     1.310000  
1 1 1 32 18 2  o 4.8370  0.4862 -0.6558000     0.9724000 
1 1 1 32 18 3  o 6.8130  0.3495 0.3364000      0.6990000 
1 1 1 32 18 4  o 3.0820  0.6341 -1.390000      1.268000  
1 1 1 32 18 5  o 2.5440  0.6940 -0.4219000     1.388000  
1 1 1 32 18 6  o 2.8200  0.6904 -1.060000      1.381000  
1 1 1 32 18 7  o 2.6590  0.7297 1.252000       1.459000  
1 1 1 32 18 8  o 3.4300  0.6679 -1.630000      1.336000  
1 1 1 32 18 9  o 2.4960  0.6780 0.8600000E-01  1.356000  
1 1 1 32 18 10 o 5.9830  0.5579 1.447000       1.116000  
1 1 1 32 18 11 o 3.9780  0.6904 -1.403000      1.381000  
1 1 1 32 18 12 o 3.4510  0.7489 0.4719000      1.498000  
1 1 1 32 18 13 f 3.1870  0.6890 1.065000       1.378000  
1 1 1 32 18 14 f 2.4670  0.6871 0.4329000      1.374000  
1 1 1 32 18 15 o 2.4400  0.7372 -1.432000      1.474000  
1 1 1 32 18 16 o 2.9260  0.7751 -0.3071000     1.550000  
1 1 1 32 18 17 o 2.4350  0.6827 0.3496000      1.365000  
1 1 1 32 18 18 o 7.2430  0.3626 0.7910000E-02  0.7251000 
1 1 1 32 18 19 o 1.5210  0.5169 0.1635000      1.034000  
1 1 1 32 18 20 o 3.0550  0.6968 -0.2187000     1.394000  
1 1 1 32 18 21 o 2.2140  0.6532 -0.3792000     1.306000  
1 1 1 32 18 22 o 1.7610  0.8208 ?              ?         
1 1 1 32 19 0  o 5.6220  0.5860 0.000000       0.000000  
1 1 1 32 19 1  o 1.4570  0.4969 -0.2175000     0.9938000 
1 1 1 32 19 2  o 2.0580  0.5841 -1.255000      1.168000  
1 1 1 32 19 3  o 2.9650  0.6479 0.9759000      1.296000  
1 1 1 32 19 4  o 2.1560  0.6366 -0.7450000     1.273000  
1 1 1 32 19 5  o 4.5080  0.6055 0.5199000      1.211000  
1 1 1 32 19 6  o 2.3800  0.6724 -0.7710000     1.345000  
1 1 1 32 19 7  o 3.3870  0.7620 1.099000       1.524000  
1 1 1 32 19 8  o 1.6890  0.5731 0.1155000      1.146000  
1 1 1 32 19 9  o 4.2920  0.6363 -0.8094000     1.273000  
1 1 1 32 19 10 o 2.0400  0.6283 -0.8338000E-01 1.257000  
1 1 1 32 19 11 o 4.1690  0.6944 0.5875000      1.389000  
1 1 1 32 19 12 o 2.4340  0.7107 0.1979000      1.421000  
1 1 1 32 19 13 o 2.6470  0.6918 -1.018000      1.384000  
1 1 1 32 19 14 o 3.5160  0.6310 2.112000       1.262000  
1 1 1 32 19 15 o 2.7510  0.7483 0.7882000E-01  1.497000  
1 1 1 32 19 16 o 2.3110  0.6757 0.1917000      1.351000  
1 1 1 32 19 17 o 2.3560  0.6706 -0.6129000     1.341000  
1 1 1 32 19 18 o 5.8250  0.5090 2.294000       1.018000  
1 1 1 32 20 0  o 1.5810  0.9817 0.000000       0.000000  
1 1 1 32 20 1  o 2.0810  0.6121 -0.5562000     1.224000  
1 1 1 32 20 2  o 2.2430  0.6511 -0.1324000     1.302000  
1 1 1 32 20 3  o 3.8200  0.6349 1.143000       1.270000  
1 1 1 32 20 4  o 2.7100  0.7100 -0.4335000     1.420000  
1 1 1 32 20 5  o 2.2590  0.6634 -0.5989000     1.327000  
1 1 1 32 20 6  o 2.8200  0.6978 -0.2313000     1.396000  
1 1 1 32 20 7  o 2.9120  0.7569 -1.054000      1.514000  
1 1 1 32 20 8  o 1.8660  0.6157 -0.1892000     1.231000  
1 1 1 32 20 9  o 1.8560  0.6049 0.9361000E-01  1.210000  
1 1 1 32 20 10 o 4.3040  0.6256 2.335000       1.251000  
1 1 1 32 20 11 o 2.2720  0.6968 -0.6825000E-01 1.394000  
1 1 1 32 20 12 o 2.1860  0.6784 0.1260000      1.357000  
1 1 1 32 20 13 o 2.4140  0.7027 -0.1748000     1.405000  
1 1 1 32 20 14 o 3.3470  0.6393 2.204000       1.279000  
1 1 1 32 21 0  o 1.4780  0.9447 0.000000       0.000000  
1 1 1 32 21 1  o 1.6950  0.5600 0.1695000E-01  1.120000  
1 1 1 32 21 2  o 2.7410  0.6493 -1.789000      1.299000  
1 1 1 32 21 3  o 2.7250  0.6770 1.391000       1.354000  
1 1 1 32 21 4  o 2.8000  0.6821 -1.078000      1.364000  
1 1 1 32 21 5  o 5.0520  0.6031 0.5141000      1.206000  
1 1 1 32 21 6  o 2.7970  0.6831 0.7292000      1.366000  
1 1 1 32 21 7  f 2.0610  0.6388 0.3615000      1.278000  
1 1 1 33 0  1  o 4.8690  0.7430 0.000000       0.000000  
1 1 1 33 0  2  o 5.2300  0.6730 0.000000       0.000000  
1 1 1 33 0  3  o 1.6720  1.0250 0.000000       0.000000  
1 1 1 33 0  4  f 2.9080  1.1740 0.000000       0.000000  
1 1 1 33 0  5  o 2.7070  1.1670 0.000000       0.000000  
1 1 1 33 0  6  o 1.3740  0.9280 0.000000       0.000000  
1 1 1 33 0  7  o 3.8850  1.1200 0.000000       0.000000  
1 1 1 33 0  8  o 1.1250  0.7968 0.000000       0.000000  
1 1 1 33 0  9  o 1.8910  1.1170 0.000000       0.000000  
1 1 1 33 0  10 o 3.0930  1.2410 0.000000       0.000000  
1 1 1 33 0  11 o 2.8020  1.3490 0.000000       0.000000  
1 1 1 33 0  12 o 1.5820  1.0470 0.000000       0.000000  
1 1 1 33 0  13 f 1.5550  1.0390 0.000000       0.000000  
1 1 1 33 0  14 o 2.4730  1.3310 0.000000       0.000000  
1 1 1 33 0  15 o 1.3170  0.9209 0.000000       0.000000  
1 1 1 33 0  16 o 1.6380  1.0780 0.000000       0.000000  
1 1 1 33 0  17 o 5.3320  0.9564 0.000000       0.000000  
1 1 1 33 0  18 o 3.2290  1.3730 0.000000       0.000000  
1 1 1 33 0  19 o 10.190  0.4256 0.000000       0.000000  
1 1 1 33 0  20 o 7.3470  0.5505 0.000000       0.000000  
1 1 1 33 0  21 o 6.7530  0.5910 0.000000       0.000000  
1 1 1 33 0  22 o 2.7140  1.2490 0.000000       0.000000  
1 1 1 33 0  23 o 1.9450  1.1400 0.000000       0.000000  
1 1 1 33 0  24 o 1.2320  0.8566 0.000000       0.000000  
1 1 1 33 0  25 o 3.0590  1.2650 0.000000       0.000000  
1 1 1 33 0  26 o 4.8560  0.9003 0.000000       0.000000  
1 1 1 33 0  27 o 3.7010  1.1700 0.000000       0.000000  
1 1 1 33 0  28 o 1.7870  1.0900 0.000000       0.000000  
1 1 1 33 0  29 o 1.1180  0.7923 0.000000       0.000000  
1 1 1 33 0  30 o 4.1690  1.0730 0.000000       0.000000  
1 1 1 33 0  31 o 1.9280  1.1340 0.000000       0.000000  
1 1 1 33 0  32 o 2.6060  1.2570 0.000000       0.000000  
1 1 1 33 0  33 f 1.3050  0.8946 0.000000       0.000000  
1 1 1 33 0  34 o 1.9920  1.1620 0.000000       0.000000  
1 1 1 33 0  35 o 2.5590  1.3740 0.000000       0.000000  
1 1 1 33 0  36 o 5.7140  0.7410 0.000000       0.000000  
1 1 1 33 0  37 f 3.2040  1.2760 0.000000       0.000000  
1 1 1 33 0  38 o 1.2090  0.8473 0.000000       0.000000  
1 1 1 33 1  0  o 4.2580  0.8898 0.000000       0.000000  
1 1 1 33 1  1  o 4.2530  0.5745 -2.445000      1.149000  
1 1 1 33 1  2  o 2.6430  0.6702 -0.6490000     1.340000  
1 1 1 33 1  3  o 3.7450  0.6265 -0.1996000     1.253000  
1 1 1 33 1  4  o 5.0350  0.5267 -0.4117000     1.053000  
1 1 1 33 1  5  o 5.2660  0.5041 1.317000       1.008000  
1 1 1 33 1  6  o 2.3830  0.6773 0.4431000      1.355000  
1 1 1 33 1  7  o 2.1490  0.6449 -0.1562000     1.290000  
1 1 1 33 1  8  o 6.2450  0.4681 -2.091000      0.9363000 
1 1 1 33 1  9  o 5.1030  0.5482 -0.3290000     1.096000  
1 1 1 33 1  10 o 2.6760  0.7269 0.3638000      1.454000  
1 1 1 33 1  11 o 3.2830  0.7627 0.1150000E-01  1.525000  
1 1 1 33 1  12 o 2.6390  0.7378 1.144000       1.476000  
1 1 1 33 1  13 o 2.3370  0.6800 -1.591000      1.360000  
1 1 1 33 1  14 o 9.9780  0.4510 -0.2796000     0.9019000 
1 1 1 33 1  15 o 2.6530  0.7884 0.7100000      1.577000  
1 1 1 33 1  16 o 4.0230  0.8068 -1.688000      1.614000  
1 1 1 33 1  17 o 3.9920  0.7569 1.097000       1.514000  
1 1 1 33 1  18 o 5.6300  0.6482 -1.913000      1.296000  
1 1 1 33 1  19 o 3.7540  0.6612 1.916000       1.322000  
1 1 1 33 1  20 o 8.6420  0.3383 -1.049000      0.6767000 
1 1 1 33 1  21 o 4.4230  0.6351 0.9835000      1.270000  
1 1 1 33 1  22 o 6.5670  0.4288 0.5689000E-01  0.8575000 
1 1 1 33 1  23 o 4.3780  0.6375 1.555000       1.275000  
1 1 1 33 1  24 o 4.1760  0.6518 1.559000       1.304000  
1 1 1 33 1  25 o 3.9980  0.6802 0.6700000      1.360000  
1 1 1 33 1  26 o 2.2340  0.6558 -0.9576000     1.312000  
1 1 1 33 1  27 o 2.0570  0.6455 -0.4025000     1.291000  
1 1 1 33 1  28 o 5.0050  0.5857 -1.472000      1.171000  
1 1 1 33 1  29 o 2.4290  0.6859 -1.115000      1.372000  
1 1 1 33 1  30 o 2.9470  0.7659 -0.1705000     1.532000  
1 1 1 33 1  31 o 2.9780  0.7684 0.7335000      1.537000  
1 1 1 33 1  32 o 2.8290  0.7479 -0.5213000     1.496000  
1 1 1 33 1  33 f 2.0360  0.6536 0.9881000      1.307000  
1 1 1 33 1  34 o 2.8170  0.7654 0.5172000      1.531000  
1 1 1 33 1  35 o 2.4530  0.7325 0.3962000      1.465000  
1 1 1 33 1  36 o 3.1880  0.8241 0.7841000E-01  1.648000  
1 1 1 33 1  37 o 2.8730  0.7744 0.8149000      1.549000  
1 1 1 33 1  38 o 3.8610  0.6965 -2.983000      1.393000  
1 1 1 33 2  0  o 4.4340  0.8369 0.000000       0.000000  
1 1 1 33 2  1  o 3.3630  0.6595 -0.6124000     1.319000  
1 1 1 33 2  2  o 3.0530  0.7085 0.4086000      1.417000  
1 1 1 33 2  3  o 5.3820  0.4946 1.442000       0.9891000 
1 1 1 33 2  4  o 8.1730  0.3355 -0.5790000     0.6709000 
1 1 1 33 2  5  o 9.4980  0.2903 1.019000       0.5807000 
1 1 1 33 2  6  o 3.3800  0.6819 0.9073000      1.364000  
1 1 1 33 2  7  o 7.5040  0.3524 0.2516000      0.7048000 
1 1 1 33 2  8  o 6.8660  0.3856 -0.2841000     0.7713000 
1 1 1 33 2  9  o 4.1500  0.6507 -1.866000      1.301000  
1 1 1 33 2  10 o 3.1580  0.7621 -0.6987000     1.524000  
1 1 1 33 2  11 o 3.4210  0.7592 -0.8000000     1.518000  
1 1 1 33 2  12 o 3.5000  0.8745 0.3829000      1.749000  
1 1 1 33 2  13 o 2.9470  0.8140 0.3521000      1.628000  
1 1 1 33 2  14 o 4.4990  0.7711 1.868000       1.542000  
1 1 1 33 2  15 o 4.7460  0.7601 -0.8030000     1.520000  
1 1 1 33 2  16 o 9.0550  0.3668 0.9404000      0.7337000 
1 1 1 33 2  17 o 6.4620  0.5742 -2.264000      1.148000  
1 1 1 33 2  18 o 3.6050  0.6699 -2.895000      1.340000  
1 1 1 33 2  19 o 2.8040  0.7543 -0.4698000     1.509000  
1 1 1 33 2  20 o 2.3950  0.6733 0.9930000      1.347000  
1 1 1 33 2  21 o 3.5400  0.6979 -1.156000      1.396000  
1 1 1 33 2  22 o 2.9230  0.7309 -0.3094000     1.462000  
1 1 1 33 2  23 o 2.7750  0.7534 -0.4362000E-01 1.507000  
1 1 1 33 2  24 o 3.8900  0.7425 -0.2605000     1.485000  
1 1 1 33 2  25 o 3.3480  0.7126 2.268000       1.425000  
1 1 1 33 2  26 o 5.1020  0.6414 -1.598000      1.283000  
1 1 1 33 2  27 o 3.8400  0.7109 2.167000       1.422000  
1 1 1 33 2  28 o 2.9890  0.7692 0.3721000      1.538000  
1 1 1 33 2  29 o 6.6000  0.6364 ?              ?         
1 1 1 33 2  30 o 3.3770  0.7157 -1.606000      1.431000  
1 1 1 33 2  31 o 3.6350  0.7439 1.844000       1.488000  
1 1 1 33 2  32 o 2.6770  0.7494 0.7373000E-01  1.499000  
1 1 1 33 2  33 o 2.4310  0.6892 0.8823000      1.378000  
1 1 1 33 2  34 o 5.6920  0.5159 0.9025000      1.032000  
1 1 1 33 2  35 o 1.5860  0.5424 -0.5471000     1.085000  
1 1 1 33 2  36 o 3.6120  0.7122 -1.004000      1.424000  
1 1 1 33 2  37 o 2.7820  0.7383 0.8329000      1.477000  
1 1 1 33 3  0  o 2.7830  1.2440 0.000000       0.000000  
1 1 1 33 3  1  o 3.9200  0.6405 -0.4186000     1.281000  
1 1 1 33 3  2  o 3.9110  0.6396 0.4181000      1.279000  
1 1 1 33 3  3  o 2.3150  0.6599 -0.4586000     1.320000  
1 1 1 33 3  4  o 3.7030  0.6625 0.5488000      1.325000  
1 1 1 33 3  5  o 3.5140  0.6731 -0.3004000     1.346000  
1 1 1 33 3  6  o 3.1420  0.7010 0.9506000E-01  1.402000  
1 1 1 33 3  7  o 3.5710  0.6294 2.396000       1.259000  
1 1 1 33 3  8  o 4.0880  0.6609 0.7845000      1.322000  
1 1 1 33 3  9  o 2.1820  0.6617 0.2204000      1.323000  
1 1 1 33 3  10 o 5.4260  0.5699 -1.534000      1.140000  
1 1 1 33 3  11 o 2.4060  0.7100 0.5475000      1.420000  
1 1 1 33 3  12 o 2.1930  0.6181 -1.685000      1.236000  
1 1 1 33 3  13 o 2.8420  0.8147 1.061000       1.629000  
1 1 1 33 3  14 o 2.0470  0.6802 0.8925000      1.360000  
1 1 1 33 3  15 o 5.0900  0.7379 -1.842000      1.476000  
1 1 1 33 3  16 o 2.3220  0.6726 -0.8718000     1.345000  
1 1 1 33 3  17 o 2.3640  0.7128 -0.3699000     1.426000  
1 1 1 33 3  18 o 3.8850  0.7952 0.8480000      1.590000  
1 1 1 33 3  19 o 4.6740  0.7520 0.6888000      1.504000  
1 1 1 33 3  20 o 2.7060  0.7735 0.3294000      1.547000  
1 1 1 33 3  21 o 2.6220  0.7072 -1.092000      1.414000  
1 1 1 33 3  22 o 8.1370  0.4118 -0.6829000     0.8236000 
1 1 1 33 3  23 o 4.5640  0.6852 -1.156000      1.370000  
1 1 1 33 3  24 o 6.4910  0.5283 -1.919000      1.057000  
1 1 1 33 3  25 o 3.0540  0.7613 0.8793000      1.523000  
1 1 1 33 3  26 o 5.7280  0.4991 -0.4336000E-01 0.9983000 
1 1 1 33 3  27 o 2.7820  0.7206 -0.5843000     1.441000  
1 1 1 33 3  28 o 3.4590  0.7281 -0.3585000     1.456000  
1 1 1 33 3  29 o 2.1500  0.6528 -0.7793000     1.306000  
1 1 1 33 3  30 o 2.5450  0.7266 0.9864000      1.453000  
1 1 1 33 3  31 f 2.8050  0.7209 0.6833000      1.442000  
1 1 1 33 3  32 o 2.3680  0.6927 -0.1036000     1.385000  
1 1 1 33 3  33 o 3.0860  0.7395 0.4055000E-01  1.479000  
1 1 1 33 3  34 f 2.3760  0.6977 -0.4307000E-01 1.395000  
1 1 1 33 3  35 o 1.9480  0.6271 0.1666000      1.254000  
1 1 1 33 3  36 o 2.8030  0.7037 1.481000       1.407000  
1 1 1 33 3  37 o 2.1800  0.6922 -0.4530000     1.384000  
1 1 1 33 4  0  o 1.8220  1.0970 0.000000       0.000000  
1 1 1 33 4  1  o 3.1650  0.6837 -1.449000      1.367000  
1 1 1 33 4  2  o 3.9680  0.6635 -0.3768000     1.327000  
1 1 1 33 4  3  o 8.2410  0.3226 -0.4493000     0.6452000 
1 1 1 33 4  4  o 4.6620  0.5705 -1.602000      1.141000  
1 1 1 33 4  5  o 2.3380  0.6676 -0.3052000     1.335000  
1 1 1 33 4  6  o 4.5920  0.6003 -0.7553000     1.201000  
1 1 1 33 4  7  o 5.7260  0.4879 -0.6201000E-01 0.9759000 
1 1 1 33 4  8  o 6.9450  0.4076 0.6415000      0.8152000 
1 1 1 33 4  9  o 9.0130  0.3698 -0.9857000     0.7396000 
1 1 1 33 4  10 o 3.4280  0.7083 -0.1496000     1.417000  
1 1 1 33 4  11 o 6.0000  0.4912 -0.7643000     0.9823000 
1 1 1 33 4  12 o 2.9880  0.7116 1.427000       1.423000  
1 1 1 33 4  13 o 4.9180  0.7526 -0.4320000     1.505000  
1 1 1 33 4  14 o 3.6780  0.8011 2.319000       1.602000  
1 1 1 33 4  15 o 3.7660  0.7114 -1.796000      1.423000  
1 1 1 33 4  16 f 5.0050  0.5802 -0.5396000     1.160000  
1 1 1 33 4  17 o 5.9960  0.6132 0.1310000      1.226000  
1 1 1 33 4  18 o 3.2670  0.7497 -2.083000      1.499000  
1 1 1 33 4  19 o 2.5280  0.7596 -0.2257000     1.519000  
1 1 1 33 4  20 o 3.3230  0.8562 -0.1884000E-01 1.712000  
1 1 1 33 4  21 o 2.3390  0.7059 -0.1255000     1.412000  
1 1 1 33 4  22 o 2.1550  0.6806 -0.1640000     1.361000  
1 1 1 33 4  23 o 1.5060  0.5212 -0.3252000     1.042000  
1 1 1 33 4  24 o 3.9590  0.6842 -0.1044000     1.368000  
1 1 1 33 4  25 o 2.6260  0.7168 0.3881000E-03  1.434000  
1 1 1 33 4  26 o 3.1610  0.7220 -0.8509000     1.444000  
1 1 1 33 4  27 o 3.6750  0.7050 0.8964000      1.410000  
1 1 1 33 4  28 o 3.4320  0.6970 -1.505000      1.394000  
1 1 1 33 4  29 o 2.0350  0.6577 0.4164000      1.315000  
1 1 1 33 4  30 o 2.1120  0.6424 0.8837000      1.285000  
1 1 1 33 4  31 o 2.0150  0.6263 -0.8756000     1.253000  
1 1 1 33 4  32 o 2.5230  0.6593 1.602000       1.319000  
1 1 1 33 4  33 o 6.5300  0.4483 -0.1007000     0.8966000 
1 1 1 33 4  34 o 3.0780  0.7815 0.2479000E-01  1.563000  
1 1 1 33 4  35 o 4.1330  0.7402 0.8884000      1.480000  
1 1 1 33 4  36 o 1.7890  0.6071 -0.2675000     1.214000  
1 1 1 33 4  37 o 4.9270  0.6824 3.141000       1.365000  
1 1 1 33 5  0  o 6.9190  0.5542 0.000000       0.000000  
1 1 1 33 5  1  o 4.4120  0.5982 -0.8761000     1.196000  
1 1 1 33 5  2  o 4.1790  0.6247 -1.600000      1.249000  
1 1 1 33 5  3  o 4.6080  0.5841 0.8951000E-01  1.168000  
1 1 1 33 5  4  o 5.0390  0.5361 -0.3797000     1.072000  
1 1 1 33 5  5  o 3.3430  0.6711 -1.776000      1.342000  
1 1 1 33 5  6  o 2.8740  0.6825 -1.526000      1.365000  
1 1 1 33 5  7  o 7.1390  0.3989 -0.4244000     0.7978000 
1 1 1 33 5  8  o 5.7990  0.5155 -0.5289000     1.031000  
1 1 1 33 5  9  o 6.5040  0.4094 -0.3636000     0.8188000 
1 1 1 33 5  10 o 2.2350  0.6766 0.1263000      1.353000  
1 1 1 33 5  11 o 4.1120  0.6576 -1.593000      1.315000  
1 1 1 33 5  12 o 3.8840  0.7003 -0.2838000     1.401000  
1 1 1 33 5  13 o 6.2050  0.4870 0.1211000E-01  0.9740000 
1 1 1 33 5  14 o 3.1800  0.5835 -2.784000      1.167000  
1 1 1 33 5  15 o 5.4990  0.7484 -0.1727000E-01 1.497000  
1 1 1 33 5  16 o 2.7250  0.7507 1.285000       1.501000  
1 1 1 33 5  17 o 5.4000  0.6819 1.726000       1.364000  
1 1 1 33 5  18 o 4.8840  0.7415 0.3215000      1.483000  
1 1 1 33 5  19 o 6.4190  0.5695 -0.1229000     1.139000  
1 1 1 33 5  20 o 3.8790  0.7089 -0.4563000E-02 1.418000  
1 1 1 33 5  21 o 2.8960  0.7336 0.1158000E-01  1.467000  
1 1 1 33 5  22 o 2.2830  0.6885 1.061000       1.377000  
1 1 1 33 5  23 o 4.0080  0.7308 0.4369000      1.462000  
1 1 1 33 5  24 o 3.2020  0.7829 -1.382000      1.566000  
1 1 1 33 5  25 o 2.7510  0.6955 -1.148000      1.391000  
1 1 1 33 5  26 o 2.8630  0.5911 -2.730000      1.182000  
1 1 1 33 5  27 o 3.3400  0.7650 -0.6099000     1.530000  
1 1 1 33 5  28 o 1.7640  0.5862 -0.2574000     1.172000  
1 1 1 33 5  29 o 2.8470  0.7268 -0.1344000     1.454000  
1 1 1 33 5  30 o 4.5200  0.6151 0.4565000      1.230000  
1 1 1 33 5  31 o 2.6890  0.7588 -0.3207000     1.518000  
1 1 1 33 5  32 o 3.2070  0.7883 -0.7134000     1.577000  
1 1 1 33 5  33 o 2.9350  0.7779 -0.7625000     1.556000  
1 1 1 33 5  34 o 2.5960  0.7487 0.3160000E-01  1.497000  
1 1 1 33 5  35 o 3.2560  0.7640 0.8563000      1.528000  
1 1 1 33 5  36 o 3.2580  0.7821 -1.448000      1.564000  
1 1 1 33 6  0  o 2.0610  1.1450 0.000000       0.000000  
1 1 1 33 6  1  o 3.0000  0.6969 0.5753000      1.394000  
1 1 1 33 6  2  o 2.3180  0.6432 -1.235000      1.286000  
1 1 1 33 6  3  o 4.8810  0.5533 0.2311000      1.107000  
1 1 1 33 6  4  o 3.1900  0.7006 -1.030000      1.401000  
1 1 1 33 6  5  o 2.6870  0.7033 0.4889000      1.407000  
1 1 1 33 6  6  o 4.1610  0.6696 -2.273000      1.339000  
1 1 1 33 6  7  o 5.1700  0.5539 -1.910000      1.108000  
1 1 1 33 6  8  o 2.0660  0.6341 1.488000       1.268000  
1 1 1 33 6  9  o 8.4690  0.3581 -0.3276000     0.7161000 
1 1 1 33 6  10 o 2.5350  0.7130 0.6863000      1.426000  
1 1 1 33 6  11 o 3.7560  0.7051 -0.6252000     1.410000  
1 1 1 33 6  12 o 1.7040  0.5606 -0.6589000     1.121000  
1 1 1 33 6  13 o 2.6240  0.7035 -0.7964000     1.407000  
1 1 1 33 6  14 o 4.3620  0.8102 1.951000       1.620000  
1 1 1 33 6  15 o 2.6440  0.7917 1.452000       1.583000  
1 1 1 33 6  16 o 3.0280  0.7800 0.2009000      1.560000  
1 1 1 33 6  17 o 2.1380  0.6754 -0.2473000     1.351000  
1 1 1 33 6  18 o 2.0290  0.6595 -0.3192000     1.319000  
1 1 1 33 6  19 o 2.4250  0.7284 -0.4955000     1.457000  
1 1 1 33 6  20 o 3.2490  0.7247 -0.7353000     1.449000  
1 1 1 33 6  21 o 2.8310  0.6443 1.994000       1.289000  
1 1 1 33 6  22 o 3.3870  0.7235 0.6897000E-02  1.447000  
1 1 1 33 6  23 o 3.1030  0.7432 -0.7754000     1.486000  
1 1 1 33 6  24 o 3.5950  0.7026 -0.8474000     1.405000  
1 1 1 33 6  25 o 3.2210  1.0190 ?              ?         
1 1 1 33 6  26 o 6.1280  0.5278 0.9898000      1.056000  
1 1 1 33 6  27 o 4.3660  0.6407 0.5924000      1.281000  
1 1 1 33 6  28 o 3.0020  0.7007 1.190000       1.401000  
1 1 1 33 6  29 o 2.5670  0.7418 -0.5043000     1.484000  
1 1 1 33 6  30 o 3.1220  0.7760 0.6767000E-01  1.552000  
1 1 1 33 6  31 o 3.3690  0.7826 -0.1504000     1.565000  
1 1 1 33 6  32 o 3.1090  0.7616 0.7218000      1.523000  
1 1 1 33 6  33 o 2.1470  0.6696 0.5317000      1.339000  
1 1 1 33 6  34 o 1.8530  0.6229 -0.8187000     1.246000  
1 1 1 33 6  35 o 6.7740  0.5025 -0.7279000     1.005000  
1 1 1 33 6  36 o 2.9170  0.7885 -0.1238000     1.577000  
1 1 1 33 7  0  o 1.3550  0.9082 0.000000       0.000000  
1 1 1 33 7  1  o 5.3760  0.4883 -0.8951000E-01 0.9765000 
1 1 1 33 7  2  o 2.2780  0.6523 -0.8634000     1.305000  
1 1 1 33 7  3  o 2.3480  0.6750 0.3198000      1.350000  
1 1 1 33 7  4  o 6.0240  0.4583 -0.4249000     0.9166000 
1 1 1 33 7  5  o 6.3000  0.4790 -0.4318000     0.9579000 
1 1 1 33 7  6  o 3.5960  0.7414 0.1238000      1.483000  
1 1 1 33 7  7  o 4.4690  0.6631 -1.231000      1.326000  
1 1 1 33 7  8  o 2.5740  0.6825 1.670000       1.365000  
1 1 1 33 7  9  o 3.9300  0.6943 0.4669000      1.389000  
1 1 1 33 7  10 o 4.8910  0.5742 -1.936000      1.148000  
1 1 1 33 7  11 o 4.4780  0.5915 -0.3319000     1.183000  
1 1 1 33 7  12 o 5.1050  0.6088 -0.3183000     1.218000  
1 1 1 33 7  13 o 2.6980  0.6446 -1.715000      1.289000  
1 1 1 33 7  14 o 3.2550  0.7973 -0.3563000     1.595000  
1 1 1 33 7  15 o 3.0740  0.8363 1.351000       1.673000  
1 1 1 33 7  16 o 5.3260  0.5111 -0.7684000     1.022000  
1 1 1 33 7  17 o 2.7570  0.7097 0.2797000      1.419000  
1 1 1 33 7  18 o 3.6010  0.7454 1.033000       1.491000  
1 1 1 33 7  19 o 3.1530  0.7621 0.6179000      1.524000  
1 1 1 33 7  20 o 3.3430  0.7354 0.2256000E-01  1.471000  
1 1 1 33 7  21 o 1.7160  0.5711 0.5706000      1.142000  
1 1 1 33 7  22 o 3.4320  0.6950 1.326000       1.390000  
1 1 1 33 7  23 o 2.0180  0.6302 0.5748000      1.260000  
1 1 1 33 7  24 o 2.7580  0.7580 0.8953000E-02  1.516000  
1 1 1 33 7  25 o 9.8620  0.3504 0.1623000      0.7007000 
1 1 1 33 7  26 o 2.2380  0.6602 0.8667000      1.320000  
1 1 1 33 7  27 o 2.8520  0.7894 0.1998000      1.579000  
1 1 1 33 7  28 o 1.9680  0.6393 0.1459000      1.279000  
1 1 1 33 7  29 o 2.0310  0.6514 -1.288000      1.303000  
1 1 1 33 7  30 o 2.8640  0.7884 0.4830000      1.577000  
1 1 1 33 7  31 o 3.0280  0.7559 0.7741000      1.512000  
1 1 1 33 7  32 o 6.2520  0.5965 2.518000       1.193000  
1 1 1 33 7  33 o 3.2640  0.7888 -0.7898000     1.578000  
1 1 1 33 7  34 o 2.2190  0.6951 -0.1206000     1.390000  
1 1 1 33 7  35 o 1.8130  0.6126 -0.2126000     1.225000  
1 1 1 33 8  0  o 3.5230  1.1650 0.000000       0.000000  
1 1 1 33 8  1  o 4.5190  0.6032 -1.518000      1.206000  
1 1 1 33 8  2  o 4.0740  0.6464 -1.652000      1.293000  
1 1 1 33 8  3  o 4.5320  0.8374 ?              ?         
1 1 1 33 8  4  o 2.6010  0.7022 1.101000       1.404000  
1 1 1 33 8  5  o 3.0560  0.7154 -1.022000      1.431000  
1 1 1 33 8  6  o 5.3450  0.5510 -0.3616000     1.102000  
1 1 1 33 8  7  o 5.8860  0.5105 -0.6284000     1.021000  
1 1 1 33 8  8  o 3.8940  0.6686 -1.349000      1.337000  
1 1 1 33 8  9  o 2.9570  0.7242 -0.9247000E-01 1.448000  
1 1 1 33 8  10 o 4.2310  0.6412 1.216000       1.282000  
1 1 1 33 8  11 o 2.5970  0.7424 0.2296000      1.485000  
1 1 1 33 8  12 o 7.6390  0.4056 0.4293000      0.8113000 
1 1 1 33 8  13 o 2.8360  0.7026 -1.012000      1.405000  
1 1 1 33 8  14 o 4.7330  0.7609 -1.836000      1.522000  
1 1 1 33 8  15 o 3.5700  0.7392 -0.1952000E-01 1.478000  
1 1 1 33 8  16 o 2.8810  0.6951 -1.500000      1.390000  
1 1 1 33 8  17 o 3.8670  0.7776 -0.5213000     1.555000  
1 1 1 33 8  18 o 2.0050  0.6510 -0.1744000E-02 1.302000  
1 1 1 33 8  19 o 2.9350  0.7716 -0.3335000     1.543000  
1 1 1 33 8  20 o 2.7710  0.7224 -0.2016000     1.445000  
1 1 1 33 8  21 o 5.3210  0.5702 2.447000       1.140000  
1 1 1 33 8  22 o 2.2060  0.6665 -0.4506000     1.333000  
1 1 1 33 8  23 o 6.3330  0.5139 -0.8527000E-01 1.028000  
1 1 1 33 8  24 o 3.6360  0.7184 -0.1476000     1.437000  
1 1 1 33 8  25 o 2.5940  0.7390 -0.4760000E-01 1.478000  
1 1 1 33 8  26 o 2.8830  0.6896 2.325000       1.379000  
1 1 1 33 8  27 o 5.9510  0.5464 -0.1938000     1.093000  
1 1 1 33 8  28 o 2.4650  0.6892 1.209000       1.378000  
1 1 1 33 8  29 o 3.0790  0.7726 0.3474000E-01  1.545000  
1 1 1 33 8  30 o 2.8770  0.7553 0.4113000      1.511000  
1 1 1 33 8  31 o 2.7070  0.7180 -1.856000      1.436000  
1 1 1 33 8  32 o 3.5060  0.7117 1.707000       1.423000  
1 1 1 33 8  33 o 2.2160  0.6809 0.3934000      1.362000  
1 1 1 33 8  34 o 3.9170  0.7492 0.9301000      1.498000  
1 1 1 33 9  0  o 3.1420  1.3410 0.000000       0.000000  
1 1 1 33 9  1  o 4.5140  0.7012 -0.4943000     1.402000  
1 1 1 33 9  2  o 4.8910  0.6130 -0.4391000     1.226000  
1 1 1 33 9  3  o 3.4580  0.5738 3.563000       1.148000  
1 1 1 33 9  4  o 2.3980  0.6819 1.012000       1.364000  
1 1 1 33 9  5  o 4.3430  0.6203 1.047000       1.241000  
1 1 1 33 9  6  o 2.1480  0.6412 -0.8488000     1.282000  
1 1 1 33 9  7  o 5.6090  0.4990 1.571000       0.9980000 
1 1 1 33 9  8  o 4.3710  0.6178 0.6874000      1.236000  
1 1 1 33 9  9  o 2.3080  0.6762 0.5778000E-01  1.352000  
1 1 1 33 9  10 o 3.9640  0.7391 -0.1411000     1.478000  
1 1 1 33 9  11 o 3.3440  0.7770 -0.1680000     1.554000  
1 1 1 33 9  12 o 6.6240  0.4892 1.044000       0.9784000 
1 1 1 33 9  13 f 1.7540  0.5946 0.2736000E-02  1.189000  
1 1 1 33 9  14 o 5.0220  0.5877 -0.1746000E-01 1.175000  
1 1 1 33 9  15 o 3.5940  0.7629 -0.3188000     1.526000  
1 1 1 33 9  16 o 5.0570  0.5998 2.089000       1.200000  
1 1 1 33 9  17 o 5.6540  0.6006 0.4538000      1.201000  
1 1 1 33 9  18 o 2.1970  0.6672 0.6072000      1.334000  
1 1 1 33 9  19 o 2.8310  0.6997 -1.158000      1.399000  
1 1 1 33 9  20 o 1.7450  0.5687 -0.3159000     1.137000  
1 1 1 33 9  21 o 3.5320  0.7704 0.5761000      1.541000  
1 1 1 33 9  22 f 2.5500  0.7338 -0.5568000     1.468000  
1 1 1 33 9  23 o 4.2310  0.7159 0.5122000      1.432000  
1 1 1 33 9  24 o 3.7110  0.7091 1.712000       1.418000  
1 1 1 33 9  25 o 5.5190  0.5811 -1.413000      1.162000  
1 1 1 33 9  26 o 4.2650  0.7157 -1.788000      1.431000  
1 1 1 33 9  27 o 2.3480  0.7106 -0.8808000     1.421000  
1 1 1 33 9  28 o 7.0930  0.5104 0.5579000      1.021000  
1 1 1 33 9  29 o 2.8730  0.7267 -2.148000      1.453000  
1 1 1 33 9  30 o 3.3720  0.8644 -0.5202000     1.729000  
1 1 1 33 9  31 o 2.8920  0.7673 -0.9290000     1.535000  
1 1 1 33 9  32 o 2.0640  0.6663 -0.6139000     1.333000  
1 1 1 33 9  33 o 3.8340  0.7528 0.4938000      1.506000  
1 1 1 33 10 0  o 8.8870  0.5363 0.000000       0.000000  
1 1 1 33 10 1  o 3.7920  0.6741 -2.750000      1.348000  
1 1 1 33 10 2  o 2.0080  0.6430 -0.5762000     1.286000  
1 1 1 33 10 3  o 5.8970  0.5034 -0.5947000     1.007000  
1 1 1 33 10 4  o 3.2660  0.7396 -1.087000      1.479000  
1 1 1 33 10 5  o 3.0260  0.7053 1.079000       1.411000  
1 1 1 33 10 6  o 3.1260  0.6832 1.531000       1.366000  
1 1 1 33 10 7  o 2.6300  0.7235 -0.5473000     1.447000  
1 1 1 33 10 8  f 2.0780  0.6397 -1.297000      1.279000  
1 1 1 33 10 9  o 2.6860  0.7159 -0.2375000     1.432000  
1 1 1 33 10 10 o 3.5220  0.7624 -0.6830000     1.525000  
1 1 1 33 10 11 o 3.8150  0.7407 -1.104000      1.481000  
1 1 1 33 10 12 o 2.3890  0.7125 -0.3224000     1.425000  
1 1 1 33 10 13 o 2.3520  0.6559 -1.381000      1.312000  
1 1 1 33 10 14 o 2.3410  0.7218 0.4521000E-01  1.444000  
1 1 1 33 10 15 o 2.8170  0.7573 0.8213000      1.515000  
1 1 1 33 10 16 o 2.6870  0.7208 0.7991000      1.442000  
1 1 1 33 10 17 o 2.0240  0.6307 0.7395000      1.261000  
1 1 1 33 10 18 o 1.9820  0.6173 0.7388000      1.235000  
1 1 1 33 10 19 o 2.9830  0.6616 1.582000       1.323000  
1 1 1 33 10 20 o 3.8220  0.7093 -0.2398000     1.419000  
1 1 1 33 10 21 o 3.4390  0.7633 -0.8387000     1.527000  
1 1 1 33 10 22 o 5.8200  0.5357 -1.320000      1.071000  
1 1 1 33 10 23 o 1.9550  0.6385 -0.7044000E-01 1.277000  
1 1 1 33 10 24 o 7.6480  0.4403 0.9311000      0.8806000 
1 1 1 33 10 25 o 2.0050  0.6538 -0.5560000     1.308000  
1 1 1 33 10 26 o 2.9090  0.7392 0.7920000      1.478000  
1 1 1 33 10 27 o 2.9670  0.7584 0.5414000      1.517000  
1 1 1 33 10 28 o 4.9110  0.6775 1.374000       1.355000  
1 1 1 33 10 29 o 2.2500  0.6906 -1.202000      1.381000  
1 1 1 33 10 30 o 2.1530  0.6935 -0.2016000     1.387000  
1 1 1 33 10 31 o 3.9880  0.8451 -0.1551000E-01 1.690000  
1 1 1 33 10 32 o 2.2550  0.6815 0.5842000      1.363000  
1 1 1 33 11 0  o 2.3860  1.2100 0.000000       0.000000  
1 1 1 33 11 1  o 5.1650  0.5708 0.7261000E-01  1.142000  
1 1 1 33 11 2  o 3.1390  0.7100 -0.7502000     1.420000  
1 1 1 33 11 3  o 1.8180  0.5840 0.6698000      1.168000  
1 1 1 33 11 4  o 3.1830  0.7099 0.5082000      1.420000  
1 1 1 33 11 5  o 2.9370  0.7434 -0.6510000     1.487000  
1 1 1 33 11 6  o 2.4230  0.7066 -0.6824000     1.413000  
1 1 1 33 11 7  o 5.4180  0.5940 2.372000       1.188000  
1 1 1 33 11 8  o 1.7170  0.5808 -0.4895000     1.162000  
1 1 1 33 11 9  o 3.6700  0.7421 2.193000       1.484000  
1 1 1 33 11 10 o 4.4900  0.7376 -0.7143000     1.475000  
1 1 1 33 11 11 o 2.6180  0.7369 1.344000       1.474000  
1 1 1 33 11 12 o 5.0080  0.6123 -0.3939000E-01 1.225000  
1 1 1 33 11 13 o 4.8160  0.7006 -0.1125000     1.401000  
1 1 1 33 11 14 o 3.3900  0.8654 -1.425000      1.731000  
1 1 1 33 11 15 o 2.1290  0.7070 -0.3526000     1.414000  
1 1 1 33 11 16 o 2.2280  0.6889 0.4704000      1.378000  
1 1 1 33 11 17 o 3.5750  0.6491 2.670000       1.298000  
1 1 1 33 11 18 o 2.8020  0.8171 -0.7667000     1.634000  
1 1 1 33 11 19 o 1.6790  0.5551 0.7355000      1.110000  
1 1 1 33 11 20 o 2.3710  0.7064 -0.2770000     1.413000  
1 1 1 33 11 21 o 1.8500  0.6000 -0.1192000     1.200000  
1 1 1 33 11 22 o 2.0910  0.6427 -0.2465000     1.285000  
1 1 1 33 11 23 o 4.5790  0.6023 1.164000       1.205000  
1 1 1 33 11 24 o 1.9390  0.6232 0.4902000      1.246000  
1 1 1 33 11 25 o 3.6260  0.7636 0.3272000      1.527000  
1 1 1 33 11 26 o 3.4400  0.7810 -0.8807000     1.562000  
1 1 1 33 11 27 o 2.3190  0.7072 -0.1123000E-01 1.414000  
1 1 1 33 11 28 o 2.1220  0.6741 -0.7163000E-01 1.348000  
1 1 1 33 11 29 f 3.5010  0.7441 0.9877000      1.488000  
1 1 1 33 11 30 o 5.9990  0.5678 0.8837000      1.136000  
1 1 1 33 11 31 o 2.5400  0.7563 0.1487000      1.513000  
1 1 1 33 12 0  o 2.4180  1.2130 0.000000       0.000000  
1 1 1 33 12 1  o 3.4400  0.6957 0.4644000      1.391000  
1 1 1 33 12 2  o 2.0370  0.6242 0.7347000      1.248000  
1 1 1 33 12 3  o 4.6190  0.6380 0.2829000      1.276000  
1 1 1 33 12 4  o 5.4610  0.5091 1.014000       1.018000  
1 1 1 33 12 5  o 3.1520  0.6974 -1.098000      1.395000  
1 1 1 33 12 6  o 4.0180  0.6452 1.753000       1.290000  
1 1 1 33 12 7  o 3.1230  0.6346 2.195000       1.269000  
1 1 1 33 12 8  o 3.8720  0.6514 -2.176000      1.303000  
1 1 1 33 12 9  o 3.2280  0.7813 -0.2160000     1.563000  
1 1 1 33 12 10 o 3.2910  0.7563 1.611000       1.513000  
1 1 1 33 12 11 o 4.0310  0.7407 1.385000       1.481000  
1 1 1 33 12 12 o 3.8780  0.6871 -0.7426000     1.374000  
1 1 1 33 12 13 o 2.0970  0.6588 1.142000       1.318000  
1 1 1 33 12 14 o 3.2600  0.7615 1.450000       1.523000  
1 1 1 33 12 15 o 2.4890  0.7276 0.9286000      1.455000  
1 1 1 33 12 16 o 2.1040  0.6841 0.5047000      1.368000  
1 1 1 33 12 17 o 2.6960  0.7946 0.4169000      1.589000  
1 1 1 33 12 18 o 1.6230  0.7745 ?              ?         
1 1 1 33 12 19 o 1.9020  0.6171 0.3475000      1.234000  
1 1 1 33 12 20 o 4.0230  0.6531 2.429000       1.306000  
1 1 1 33 12 21 o 3.4120  0.7050 1.281000       1.410000  
1 1 1 33 12 22 o 4.9840  0.5453 -0.6771000     1.091000  
1 1 1 33 12 23 o 2.4900  0.6501 1.453000       1.300000  
1 1 1 33 12 24 o 1.7790  0.5850 -0.5898000E-02 1.170000  
1 1 1 33 12 25 o 1.9020  0.6272 -0.1002000     1.254000  
1 1 1 33 12 26 o 2.5150  0.7308 -0.1818000E-01 1.462000  
1 1 1 33 12 27 o 3.4640  0.7229 -1.010000      1.446000  
1 1 1 33 12 28 o 2.2580  0.6793 -0.2810000     1.359000  
1 1 1 33 12 29 o 4.0780  0.6827 0.4380000      1.365000  
1 1 1 33 12 30 o 2.8200  0.7301 -0.9879000     1.460000  
1 1 1 33 13 0  o 3.1370  1.2160 0.000000       0.000000  
1 1 1 33 13 1  o 2.9500  0.6303 2.127000       1.261000  
1 1 1 33 13 2  o 3.2150  0.7145 -0.3174000     1.429000  
1 1 1 33 13 3  o 4.4860  0.6056 -0.7465000     1.211000  
1 1 1 33 13 4  o 3.5920  0.7383 0.9876000E-01  1.477000  
1 1 1 33 13 5  o 2.9950  0.6893 1.342000       1.379000  
1 1 1 33 13 6  o 4.0760  0.6619 -0.4909000     1.324000  
1 1 1 33 13 7  o 7.0500  0.4083 -0.7814000     0.8166000 
1 1 1 33 13 8  o 9.4080  0.3706 0.3675000      0.7412000 
1 1 1 33 13 9  o 4.2540  0.7379 0.5456000      1.476000  
1 1 1 33 13 10 o 3.2210  0.6776 2.827000       1.355000  
1 1 1 33 13 11 f 4.2890  0.7029 -1.393000      1.406000  
1 1 1 33 13 12 o 3.1740  0.7102 0.9923000      1.420000  
1 1 1 33 13 13 o 2.7190  0.7620 -0.7637000     1.524000  
1 1 1 33 13 14 o 3.1430  0.7869 -1.010000      1.574000  
1 1 1 33 13 15 o 2.1420  0.7120 -0.7733000E-02 1.424000  
1 1 1 33 13 16 o 2.7280  0.7746 0.3289000      1.549000  
1 1 1 33 13 17 o 5.6610  0.6674 ?              ?         
1 1 1 33 13 18 o 2.8240  0.7484 0.7505000E-01  1.497000  
1 1 1 33 13 19 f 2.6590  0.7093 0.4102000      1.419000  
1 1 1 33 13 20 f 4.6140  0.6109 1.576000       1.222000  
1 1 1 33 13 21 o 3.4210  0.6252 2.444000       1.250000  
1 1 1 33 13 22 o 4.0540  0.6669 -0.8311000     1.334000  
1 1 1 33 13 23 o 5.1670  0.5447 0.6422000      1.089000  
1 1 1 33 13 24 o 2.3740  0.6890 -0.1805000     1.378000  
1 1 1 33 13 25 o 3.2220  0.6822 0.9441000      1.364000  
1 1 1 33 13 26 o 3.1500  0.7284 -0.9423000     1.457000  
1 1 1 33 13 27 o 3.0140  0.6780 1.566000       1.356000  
1 1 1 33 13 28 o 2.7620  0.6880 1.256000       1.376000  
1 1 1 33 14 0  o 1.4350  0.9484 0.000000       0.000000  
1 1 1 33 14 1  o 2.6470  0.6911 -0.8280000     1.382000  
1 1 1 33 14 2  o 4.1610  0.6415 -1.162000      1.283000  
1 1 1 33 14 3  o 5.2710  0.5357 -1.226000      1.071000  
1 1 1 33 14 4  o 2.4800  0.6851 0.7633000      1.370000  
1 1 1 33 14 5  o 2.7120  0.6940 -1.122000      1.388000  
1 1 1 33 14 6  o 4.6230  0.6542 -1.798000      1.308000  
1 1 1 33 14 7  o 10.590  0.2776 -0.5298000     0.5551000 
1 1 1 33 14 8  o 5.6260  0.4922 -1.130000      0.9844000 
1 1 1 33 14 9  o 2.8270  0.6736 -1.403000      1.347000  
1 1 1 33 14 10 o 4.3510  0.6751 -0.6566000     1.350000  
1 1 1 33 14 11 o 2.0950  0.6150 -1.042000      1.230000  
1 1 1 33 14 12 o 4.8170  0.6169 0.6798000E-01  1.234000  
1 1 1 33 14 13 o 7.3820  0.6411 -0.1814000     1.282000  
1 1 1 33 14 14 o 2.5400  0.7563 0.2306000      1.513000  
1 1 1 33 14 15 o 3.0920  0.8727 -0.8992000     1.745000  
1 1 1 33 14 16 o 4.1640  0.7237 2.435000       1.447000  
1 1 1 33 14 17 o 2.3020  0.7334 -0.7274000     1.467000  
1 1 1 33 14 18 o 3.7110  0.7005 -0.9743000     1.401000  
1 1 1 33 14 19 o 2.1960  0.6608 -0.7325000     1.322000  
1 1 1 33 14 20 o 5.4490  0.5095 0.2725000E-01  1.019000  
1 1 1 33 14 21 o 1.7790  0.5889 -0.1646000     1.178000  
1 1 1 33 14 22 o 2.9580  0.7308 -0.1054000     1.462000  
1 1 1 33 14 23 o 3.2540  0.6885 -1.713000      1.377000  
1 1 1 33 14 24 o 3.1910  0.7303 -0.3394000     1.461000  
1 1 1 33 14 25 o 2.5800  0.6765 1.158000       1.353000  
1 1 1 33 14 26 o 3.1350  0.7185 0.3773000      1.437000  
1 1 1 33 15 0  o 1.2970  0.8674 0.000000       0.000000  
1 1 1 33 15 1  o 2.7440  0.5655 2.246000       1.131000  
1 1 1 33 15 2  o 1.6670  0.5450 -0.5182000     1.090000  
1 1 1 33 15 3  o 3.5150  0.6351 0.5653000      1.270000  
1 1 1 33 15 4  o 3.0880  0.6603 0.5453000      1.321000  
1 1 1 33 15 5  o 1.7050  0.5567 0.1275000      1.113000  
1 1 1 33 15 6  o 3.2680  0.6802 -0.5966000     1.360000  
1 1 1 33 15 7  o 2.5720  0.7043 0.2629000      1.409000  
1 1 1 33 15 8  o 3.6510  0.6417 -0.5930000     1.283000  
1 1 1 33 15 9  f 1.9230  0.6312 0.6445000      1.262000  
1 1 1 33 15 10 o 2.2270  0.6497 -0.5787000     1.299000  
1 1 1 33 15 11 o 3.7610  0.6838 0.5314000      1.368000  
1 1 1 33 15 12 o 3.9230  0.7619 -0.8168000E-01 1.524000  
1 1 1 33 15 13 o 2.4180  0.7205 -0.8573000E-01 1.441000  
1 1 1 33 15 14 o 2.5390  0.7142 0.2340000      1.428000  
1 1 1 33 15 15 o 2.6870  0.7405 0.4389000      1.481000  
1 1 1 33 15 16 o 2.3550  0.6815 0.6674000      1.363000  
1 1 1 33 15 17 o 3.2740  0.6920 0.7491000      1.384000  
1 1 1 33 15 18 o 4.1980  0.6171 2.052000       1.234000  
1 1 1 33 15 19 f 2.8070  0.7020 0.1320000      1.404000  
1 1 1 33 15 20 o 3.1020  0.7023 0.1093000      1.405000  
1 1 1 33 15 21 o 2.5940  0.6765 -1.200000      1.353000  
1 1 1 33 15 22 o 2.1410  0.6274 -1.348000      1.255000  
1 1 1 33 15 23 o 1.7330  0.5732 -0.1292000     1.146000  
1 1 1 33 15 24 o 6.3210  0.4177 -0.1850000     0.8354000 
1 1 1 33 16 0  o 4.8450  0.7160 0.000000       0.000000  
1 1 1 33 16 1  f 2.3150  0.6351 0.8776000      1.270000  
1 1 1 33 16 2  o 2.4900  0.6634 0.2178000      1.327000  
1 1 1 33 16 3  o 3.5320  0.6411 -0.7325000     1.282000  
1 1 1 33 16 4  o 2.2610  0.6442 -0.3589000E-01 1.288000  
1 1 1 33 16 5  f 2.1120  0.6188 -0.6880000     1.238000  
1 1 1 33 16 6  o 2.4540  0.6569 1.251000       1.314000  
1 1 1 33 16 7  o 2.1600  0.6475 0.2650000      1.295000  
1 1 1 33 16 8  o 2.7260  0.7002 0.4574000      1.400000  
1 1 1 33 16 9  o 2.6810  0.7216 -0.3189000     1.443000  
1 1 1 33 16 10 o 2.1690  0.6599 -0.4724000     1.320000  
1 1 1 33 16 11 o 1.8980  0.6185 -0.1309000     1.237000  
1 1 1 33 16 12 o 2.4970  0.7343 -0.4992000     1.469000  
1 1 1 33 16 13 o 2.7450  0.7633 -0.5266000     1.527000  
1 1 1 33 16 14 o 8.4450  0.4186 ?              ?         
1 1 1 33 16 15 o 2.9560  0.7761 0.2636000      1.552000  
1 1 1 33 16 16 o 3.8450  0.7333 -0.1369000     1.467000  
1 1 1 33 16 17 o 2.9130  0.6301 1.701000       1.260000  
1 1 1 33 16 18 o 3.6510  0.6559 1.150000       1.312000  
1 1 1 33 16 19 o 3.1850  0.6991 0.9952000E-01  1.398000  
1 1 1 33 16 20 o 2.6170  0.6816 -1.211000      1.363000  
1 1 1 33 16 21 o 2.4690  0.6745 0.3918000      1.349000  
1 1 1 33 16 22 o 3.0780  0.7031 -0.1298000     1.406000  
1 1 1 33 17 0  o 1.7460  1.0340 0.000000       0.000000  
1 1 1 33 17 1  o 3.5820  0.6284 -0.8451000     1.257000  
1 1 1 33 17 2  o 2.0880  0.6197 -0.3845000     1.239000  
1 1 1 33 17 3  o 2.5240  0.6301 -1.301000      1.260000  
1 1 1 33 17 4  o 5.2750  0.4532 0.4748000      0.9063000 
1 1 1 33 17 5  o 4.7820  0.5178 1.342000       1.036000  
1 1 1 33 17 6  o 2.6870  0.6546 1.616000       1.309000  
1 1 1 33 17 7  o 3.9150  0.6327 -0.9587000     1.265000  
1 1 1 33 17 8  o 4.1570  0.7308 -0.1946000     1.462000  
1 1 1 33 17 9  o 4.4880  0.6244 0.9874000      1.249000  
1 1 1 33 17 10 o 1.9810  0.6482 -0.2809000     1.296000  
1 1 1 33 17 11 o 3.7680  0.7426 1.533000       1.485000  
1 1 1 33 17 12 o 2.2930  0.6424 1.304000       1.285000  
1 1 1 33 17 13 o 2.7780  0.7196 0.5919000      1.439000  
1 1 1 33 17 14 o 4.6370  0.7002 ?              ?         
1 1 1 33 17 15 o 3.1990  0.7068 1.346000       1.414000  
1 1 1 33 17 16 o 2.7540  0.6373 1.483000       1.275000  
1 1 1 33 17 17 o 3.0800  0.6074 2.055000       1.215000  
1 1 1 33 17 18 o 2.0120  0.6174 0.4625000      1.235000  
1 1 1 33 17 19 o 5.0410  0.5246 -0.3426000     1.049000  
1 1 1 33 18 0  o 3.3640  1.0930 0.000000       0.000000  
1 1 1 33 18 1  o 2.5790  0.6522 -0.8809000     1.304000  
1 1 1 33 18 2  o 2.9470  0.6722 -0.3182000     1.344000  
1 1 1 33 18 3  o 1.7710  0.5779 0.3718000      1.156000  
1 1 1 33 18 4  o 2.9390  0.6670 -0.9800000     1.334000  
1 1 1 33 18 5  o 6.6480  0.3978 0.2479000      0.7956000 
1 1 1 33 18 6  o 1.9630  0.6079 -0.5703000E-01 1.216000  
1 1 1 33 18 7  o 3.0790  0.7601 -0.5032000     1.520000  
1 1 1 33 18 8  o 2.2360  0.6729 0.1902000      1.346000  
1 1 1 33 18 9  o 2.4290  0.7302 -0.3038000     1.460000  
1 1 1 33 18 10 o 3.0420  0.7707 -0.6245000E-01 1.541000  
1 1 1 33 18 11 o 2.5230  0.7339 0.2220000      1.468000  
1 1 1 33 18 12 o 1.3530  0.4747 0.5228000E-02  0.9495000 
1 1 1 33 18 13 o 2.9350  0.9408 ?              ?         
1 1 1 33 18 14 o 2.7810  0.9449 ?              ?         
1 1 1 33 18 15 o 2.4440  0.6854 0.1711000      1.371000  
1 1 1 33 19 0  o 0.9231  0.6671 0.000000       0.000000  
1 1 1 33 19 1  o 2.2130  0.6408 0.1105000      1.282000  
1 1 1 33 19 2  o 1.9430  0.5857 1.003000       1.171000  
1 1 1 33 19 3  o 2.5090  0.6872 0.4385000      1.374000  
1 1 1 33 19 4  o 2.5570  0.6898 0.3671000      1.380000  
1 1 1 33 19 5  o 4.0480  0.6696 -0.5699000     1.339000  
1 1 1 33 19 6  o 2.4940  0.6751 0.5694000      1.350000  
1 1 1 33 19 7  o 1.9970  0.6466 -0.6229000     1.293000  
1 1 1 33 19 8  o 1.8860  0.6115 -0.4102000     1.223000  
1 1 1 33 19 9  o 1.9230  0.6346 0.6821000      1.269000  
1 1 1 33 19 10 o 2.8760  0.7589 -0.1194000     1.518000  
1 1 1 34 0  0  o 7.0430  0.7604 0.000000       0.000000  
1 1 1 34 0  1  o 5.9420  0.6196 0.000000       0.000000  
1 1 1 34 0  2  o 3.6950  1.0790 0.000000       0.000000  
1 1 1 34 0  3  o 3.4180  1.1390 0.000000       0.000000  
1 1 1 34 0  4  o 3.8450  1.0330 0.000000       0.000000  
1 1 1 34 0  5  o 5.0250  0.7257 0.000000       0.000000  
1 1 1 34 0  6  o 7.6000  0.5812 0.000000       0.000000  
1 1 1 34 0  7  o 2.8100  1.3920 0.000000       0.000000  
1 1 1 34 0  8  o 2.2330  1.2850 0.000000       0.000000  
1 1 1 34 0  9  o 5.3810  0.9953 0.000000       0.000000  
1 1 1 34 0  10 o 1.3340  0.9115 0.000000       0.000000  
1 1 1 34 0  11 o 2.8210  1.4010 0.000000       0.000000  
1 1 1 34 0  12 o 8.3240  0.6347 0.000000       0.000000  
1 1 1 34 0  13 o 1.7860  1.1480 0.000000       0.000000  
1 1 1 34 0  14 o 4.3230  1.2830 0.000000       0.000000  
1 1 1 34 0  15 o 6.5470  0.8168 0.000000       0.000000  
1 1 1 34 0  16 o 1.7590  1.0960 0.000000       0.000000  
1 1 1 34 0  17 o 3.7770  1.3420 0.000000       0.000000  
1 1 1 34 0  18 o 2.2090  1.2000 0.000000       0.000000  
1 1 1 34 0  19 o 2.6850  1.2530 0.000000       0.000000  
1 1 1 34 0  20 o 1.4700  0.9743 0.000000       0.000000  
1 1 1 34 0  21 o 1.8380  1.1150 0.000000       0.000000  
1 1 1 34 0  22 o 6.4310  0.6420 0.000000       0.000000  
1 1 1 34 0  23 o 1.5340  1.0070 0.000000       0.000000  
1 1 1 34 0  24 o 7.7190  0.5580 0.000000       0.000000  
1 1 1 34 0  25 o 4.0380  1.1160 0.000000       0.000000  
1 1 1 34 0  26 o 2.9300  1.2650 0.000000       0.000000  
1 1 1 34 0  27 o 2.8880  1.4100 0.000000       0.000000  
1 1 1 34 0  28 f 2.4430  1.2520 0.000000       0.000000  
1 1 1 34 0  29 o 1.8630  1.1300 0.000000       0.000000  
1 1 1 34 0  30 o 2.6210  1.2760 0.000000       0.000000  
1 1 1 34 0  31 o 5.5710  0.7613 0.000000       0.000000  
1 1 1 34 0  32 o 2.0400  1.1780 0.000000       0.000000  
1 1 1 34 0  33 o 1.9260  1.2120 0.000000       0.000000  
1 1 1 34 0  34 o 1.5160  1.0020 0.000000       0.000000  
1 1 1 34 1  0  o 3.9230  1.0280 0.000000       0.000000  
1 1 1 34 1  1  o 2.2280  0.6518 -0.3721000     1.304000  
1 1 1 34 1  2  o 3.3820  0.6768 0.5319000      1.354000  
1 1 1 34 1  3  o 2.9760  0.6813 0.8041000      1.363000  
1 1 1 34 1  4  o 4.6600  0.5911 1.525000       1.182000  
1 1 1 34 1  5  o 2.6190  0.7098 0.8460000      1.420000  
1 1 1 34 1  6  o 2.1570  0.6551 0.7682000      1.310000  
1 1 1 34 1  7  o 3.2180  0.7387 -0.5841000     1.477000  
1 1 1 34 1  8  o 5.4050  0.6514 -1.438000      1.303000  
1 1 1 34 1  9  o 3.4480  0.7838 -0.3178000     1.568000  
1 1 1 34 1  10 o 8.1400  0.5160 -0.2445000     1.032000  
1 1 1 34 1  11 o 6.0880  0.5920 -2.296000      1.184000  
1 1 1 34 1  12 o 5.6380  0.6649 1.690000       1.330000  
1 1 1 34 1  13 o 2.2650  0.7172 -0.4479000     1.434000  
1 1 1 34 1  14 o 2.8720  0.8081 0.1872000      1.616000  
1 1 1 34 1  15 o 1.9200  0.6334 0.2853000      1.267000  
1 1 1 34 1  16 o 2.2100  0.6878 0.1022000      1.376000  
1 1 1 34 1  17 o 2.9750  0.7720 0.5959000      1.544000  
1 1 1 34 1  18 f 3.2320  0.6718 2.153000       1.344000  
1 1 1 34 1  19 o 3.8410  0.7394 -1.491000      1.479000  
1 1 1 34 1  20 o 6.1080  0.4726 -0.2686000     0.9452000 
1 1 1 34 1  21 f 2.0840  0.6530 0.4077000      1.306000  
1 1 1 34 1  22 o 5.7620  0.5218 -1.031000      1.044000  
1 1 1 34 1  23 o 6.3830  0.5056 2.938000       1.011000  
1 1 1 34 1  24 o 4.1010  0.6919 0.2782000      1.384000  
1 1 1 34 1  25 o 3.0490  0.6271 2.510000       1.254000  
1 1 1 34 1  26 o 3.8070  0.7024 1.288000       1.405000  
1 1 1 34 1  27 o 2.7710  0.7080 -1.079000      1.416000  
1 1 1 34 1  28 o 2.2250  0.6533 1.149000       1.307000  
1 1 1 34 1  29 o 2.2060  0.6724 0.4681000      1.345000  
1 1 1 34 1  30 o 6.8130  0.4386 -0.2689000     0.8772000 
1 1 1 34 1  31 o 3.4690  0.7174 -1.367000      1.435000  
1 1 1 34 1  32 o 2.1430  0.6609 -0.8655000     1.322000  
1 1 1 34 1  33 o 2.4040  0.7004 0.4751000      1.401000  
1 1 1 34 1  34 o 4.1260  0.6997 0.5118000      1.399000  
1 1 1 34 2  0  o 3.3750  1.1270 0.000000       0.000000  
1 1 1 34 2  1  o 3.9410  0.6216 0.3018000      1.243000  
1 1 1 34 2  2  o 2.7050  0.6748 1.477000       1.350000  
1 1 1 34 2  3  o 4.5730  0.6798 -1.335000      1.360000  
1 1 1 34 2  4  o 7.5160  0.3954 1.359000       0.7909000 
1 1 1 34 2  5  o 2.8530  0.7048 1.224000       1.410000  
1 1 1 34 2  6  o 3.0290  0.7142 -0.9956000     1.428000  
1 1 1 34 2  7  o 2.2140  0.6675 -0.5875000     1.335000  
1 1 1 34 2  8  o 5.8170  0.5698 -1.669000      1.140000  
1 1 1 34 2  9  o 2.7220  0.7589 -0.8166000     1.518000  
1 1 1 34 2  10 o 2.7530  0.8052 0.2457000      1.610000  
1 1 1 34 2  11 o 4.0980  0.8336 1.711000       1.667000  
1 1 1 34 2  12 o 2.7950  0.7512 1.392000       1.502000  
1 1 1 34 2  13 f 2.8020  0.6905 1.758000       1.381000  
1 1 1 34 2  14 o 9.6630  0.3875 0.7903000      0.7751000 
1 1 1 34 2  15 o 4.9580  0.6546 0.3773000      1.309000  
1 1 1 34 2  16 o 1.8480  0.6038 -0.3493000     1.208000  
1 1 1 34 2  17 o 2.7060  0.7213 0.1796000      1.443000  
1 1 1 34 2  18 o 3.2140  0.7202 2.102000       1.440000  
1 1 1 34 2  19 o 4.1390  0.6883 -0.1475000     1.377000  
1 1 1 34 2  20 o 3.5620  0.7735 0.6149000E-01  1.547000  
1 1 1 34 2  21 o 3.0180  0.6418 2.294000       1.284000  
1 1 1 34 2  22 o 2.4630  0.6811 -1.170000      1.362000  
1 1 1 34 2  23 o 3.6760  0.7160 0.1263000      1.432000  
1 1 1 34 2  24 o 4.6880  0.6200 1.094000       1.240000  
1 1 1 34 2  25 o 2.7900  0.7237 0.7217000      1.447000  
1 1 1 34 2  26 o 2.5340  0.6946 -0.9795000     1.389000  
1 1 1 34 2  27 o 3.3760  0.6930 2.066000       1.386000  
1 1 1 34 2  28 o 1.7800  0.5863 0.7298000      1.173000  
1 1 1 34 2  29 o 3.5950  0.7172 -0.9798000     1.434000  
1 1 1 34 2  30 o 2.7860  0.7447 -0.8339000     1.489000  
1 1 1 34 2  31 o 4.3430  0.6688 1.431000       1.338000  
1 1 1 34 2  32 o 2.8830  0.7307 -0.8963000     1.461000  
1 1 1 34 2  33 o 3.4410  0.7502 0.5301000      1.500000  
1 1 1 34 2  34 o 1.8320  0.6161 -0.7788000E-02 1.232000  
1 1 1 34 3  0  o 1.6370  1.0410 0.000000       0.000000  
1 1 1 34 3  1  o 2.5050  0.6826 -0.5666000     1.365000  
1 1 1 34 3  2  o 2.6500  0.7159 0.3526000      1.432000  
1 1 1 34 3  3  o 3.5960  0.7166 0.6232000      1.433000  
1 1 1 34 3  4  o 5.3820  0.5346 0.8534000      1.069000  
1 1 1 34 3  5  o 4.1130  0.6712 -0.2797000     1.342000  
1 1 1 34 3  6  o 4.0060  0.6524 -1.353000      1.305000  
1 1 1 34 3  7  o 6.9660  0.3989 0.6800000      0.7979000 
1 1 1 34 3  8  o 7.6750  0.4120 0.8265000E-01  0.8240000 
1 1 1 34 3  9  o 2.8920  0.8045 0.4285000      1.609000  
1 1 1 34 3  10 o 3.8280  0.8117 2.054000       1.623000  
1 1 1 34 3  11 o 3.1160  0.8501 -0.8551000E-01 1.700000  
1 1 1 34 3  12 o 6.2010  0.5280 -0.9227000     1.056000  
1 1 1 34 3  13 o 3.9290  0.7734 -0.7696000     1.547000  
1 1 1 34 3  14 o 6.6700  0.4904 0.1477000      0.9808000 
1 1 1 34 3  15 o 8.5910  0.4005 -0.3055000     0.8009000 
1 1 1 34 3  16 o 1.8410  0.6059 0.8269000E-01  1.212000  
1 1 1 34 3  17 o 2.2670  0.6788 -0.9691000E-02 1.358000  
1 1 1 34 3  18 o 2.2840  0.6818 -0.2087000     1.364000  
1 1 1 34 3  19 o 2.4740  0.6863 1.019000       1.373000  
1 1 1 34 3  20 o 3.3960  0.7781 0.1458000E-01  1.556000  
1 1 1 34 3  21 o 2.3860  0.6943 0.4617000      1.389000  
1 1 1 34 3  22 o 4.0690  0.7052 1.778000       1.410000  
1 1 1 34 3  23 o 3.4910  0.7247 0.4461000      1.449000  
1 1 1 34 3  24 o 2.2820  0.6818 -0.2192000     1.364000  
1 1 1 34 3  25 o 2.3430  0.6777 0.7765000      1.355000  
1 1 1 34 3  26 o 3.2530  0.7188 -1.180000      1.438000  
1 1 1 34 3  27 o 6.4620  0.5035 0.9026000      1.007000  
1 1 1 34 3  28 o 3.5200  0.7579 -1.027000      1.516000  
1 1 1 34 3  29 o 4.0740  0.7535 0.6830000      1.507000  
1 1 1 34 3  30 o 1.9410  0.6392 -0.8350000E-01 1.278000  
1 1 1 34 3  31 o 3.9540  0.7554 1.734000       1.511000  
1 1 1 34 3  32 o 3.7680  0.7872 0.9807000      1.574000  
1 1 1 34 3  33 o 2.3280  0.7023 -0.5738000     1.405000  
1 1 1 34 3  34 o 3.1380  0.7961 0.1788000      1.592000  
1 1 1 34 4  0  o 1.2760  0.8792 0.000000       0.000000  
1 1 1 34 4  1  o 4.4060  0.6345 1.109000       1.269000  
1 1 1 34 4  2  o 7.1220  0.3963 0.6590000      0.7926000 
1 1 1 34 4  3  o 2.5980  0.6396 -1.951000      1.279000  
1 1 1 34 4  4  o 5.2630  0.5187 1.364000       1.037000  
1 1 1 34 4  5  o 2.4950  0.6912 -0.5149000E-01 1.382000  
1 1 1 34 4  6  o 2.8480  0.7153 -0.7805000     1.431000  
1 1 1 34 4  7  o 1.9850  0.6168 -0.7683000     1.234000  
1 1 1 34 4  8  o 2.9900  0.6709 -1.587000      1.342000  
1 1 1 34 4  9  o 2.4900  0.7342 0.2369000      1.468000  
1 1 1 34 4  10 f 5.2980  0.6920 0.5364000      1.384000  
1 1 1 34 4  11 o 5.1200  0.7145 0.2751000      1.429000  
1 1 1 34 4  12 o 4.7550  0.6444 -1.672000      1.289000  
1 1 1 34 4  13 o 7.8440  0.3838 -0.1170000     0.7675000 
1 1 1 34 4  14 o 7.9940  0.4361 1.662000       0.8722000 
1 1 1 34 4  15 o 4.8020  0.6878 1.637000       1.376000  
1 1 1 34 4  16 o 2.9840  0.6564 2.241000       1.313000  
1 1 1 34 4  17 o 2.1250  0.6570 -0.1533000     1.314000  
1 1 1 34 4  18 o 3.0890  0.7378 -0.2532000     1.476000  
1 1 1 34 4  19 f 2.7490  0.7157 -0.7265000     1.431000  
1 1 1 34 4  20 o 3.9670  0.6528 -2.160000      1.306000  
1 1 1 34 4  21 o 3.2300  0.7023 -1.724000      1.405000  
1 1 1 34 4  22 o 5.4310  0.5477 -1.048000      1.095000  
1 1 1 34 4  23 o 2.6380  0.7571 -0.9391000     1.514000  
1 1 1 34 4  24 o 3.8720  0.7430 1.681000       1.486000  
1 1 1 34 4  25 o 4.3090  0.7286 -0.6229000     1.457000  
1 1 1 34 4  26 o 2.3170  0.7069 -0.2511000     1.414000  
1 1 1 34 4  27 o 2.7130  0.7336 -0.8789000     1.467000  
1 1 1 34 4  28 o 1.8840  0.6274 0.5611000E-01  1.255000  
1 1 1 34 4  29 o 7.6440  0.4895 -0.8789000     0.9789000 
1 1 1 34 4  30 o 2.0060  0.6383 0.5526000      1.277000  
1 1 1 34 4  31 o 2.3600  0.6972 0.1375000      1.394000  
1 1 1 34 4  32 o 2.8930  0.7430 -0.4541000E-01 1.486000  
1 1 1 34 4  33 o 3.6770  0.7258 0.7532000      1.452000  
1 1 1 34 5  0  o 8.4060  0.4899 0.000000       0.000000  
1 1 1 34 5  1  o 6.6600  0.4134 -0.5249000     0.8268000 
1 1 1 34 5  2  o 2.5610  0.6824 -1.074000      1.365000  
1 1 1 34 5  3  o 2.6470  0.7126 -0.3887000     1.425000  
1 1 1 34 5  4  o 6.4380  0.5081 -1.261000      1.016000  
1 1 1 34 5  5  o 3.3470  0.7427 -0.2206000     1.485000  
1 1 1 34 5  6  o 6.5270  0.4923 -0.9848000     0.9847000 
1 1 1 34 5  7  o 2.4410  0.7151 0.8559000      1.430000  
1 1 1 34 5  8  o 2.9450  0.6927 2.290000       1.385000  
1 1 1 34 5  9  o 2.3050  0.6849 -0.2219000     1.370000  
1 1 1 34 5  10 o 2.8790  0.6927 -1.183000      1.385000  
1 1 1 34 5  11 o 3.4370  0.7295 -0.5209000     1.459000  
1 1 1 34 5  12 o 3.8440  0.7279 0.3410000      1.456000  
1 1 1 34 5  13 o 3.8750  0.6780 0.7546000E-01  1.356000  
1 1 1 34 5  14 o 2.7720  0.7545 0.3166000      1.509000  
1 1 1 34 5  15 o 2.6480  0.7249 -1.665000      1.450000  
1 1 1 34 5  16 o 3.2390  0.7823 -0.8821000     1.565000  
1 1 1 34 5  17 o 3.7320  0.6888 1.520000       1.378000  
1 1 1 34 5  18 o 5.9820  0.4772 0.7338000      0.9543000 
1 1 1 34 5  19 o 4.0600  0.6735 -1.025000      1.347000  
1 1 1 34 5  20 o 3.7120  0.7180 -0.5165000     1.436000  
1 1 1 34 5  21 o 5.4240  0.6373 -2.288000      1.275000  
1 1 1 34 5  22 o 3.2720  0.7585 -0.9663000     1.517000  
1 1 1 34 5  23 o 4.6830  0.8357 1.289000       1.671000  
1 1 1 34 5  24 o 8.4320  0.4185 -0.4447000     0.8370000 
1 1 1 34 5  25 o 3.1830  0.7719 -1.745000      1.544000  
1 1 1 34 5  26 o 2.3360  0.7134 0.2081000      1.427000  
1 1 1 34 5  27 o 6.1480  0.5044 -1.813000      1.009000  
1 1 1 34 5  28 o 3.6860  0.7213 0.7272000      1.443000  
1 1 1 34 5  29 o 3.4800  0.7321 0.2320000      1.464000  
1 1 1 34 5  30 o 2.0220  0.6395 0.3302000      1.279000  
1 1 1 34 5  31 o 2.4810  0.7096 0.3938000      1.419000  
1 1 1 34 5  32 o 3.3220  0.6673 -2.189000      1.335000  
1 1 1 34 5  33 o 3.9940  1.0180 ?              ?         
1 1 1 34 6  0  o 4.1820  1.0560 0.000000       0.000000  
1 1 1 34 6  1  o 4.8210  0.5892 1.292000       1.178000  
1 1 1 34 6  2  o 1.6890  0.5743 0.5697000E-01  1.149000  
1 1 1 34 6  3  o 5.4950  0.5909 -1.750000      1.182000  
1 1 1 34 6  4  o 7.6430  0.4152 0.3702000E-01  0.8304000 
1 1 1 34 6  5  o 3.5220  0.7336 -1.034000      1.467000  
1 1 1 34 6  6  o 5.7720  0.5707 -0.8116000     1.141000  
1 1 1 34 6  7  o 7.9530  0.3819 -1.018000      0.7639000 
1 1 1 34 6  8  o 2.0840  0.6576 0.6764000      1.315000  
1 1 1 34 6  9  o 3.1480  0.7029 -0.3013000     1.406000  
1 1 1 34 6  10 o 2.2200  0.6745 0.9860000      1.349000  
1 1 1 34 6  11 o 2.8170  0.7123 1.608000       1.425000  
1 1 1 34 6  12 o 2.8940  0.7450 -0.3874000E-01 1.490000  
1 1 1 34 6  13 o 5.3690  0.5112 -0.1028000     1.022000  
1 1 1 34 6  14 o 3.3330  0.7097 -1.394000      1.419000  
1 1 1 34 6  15 o 2.7620  0.7101 -0.9828000     1.420000  
1 1 1 34 6  16 o 4.1230  0.7253 0.7785000      1.451000  
1 1 1 34 6  17 o 3.2020  0.7315 -0.1911000     1.463000  
1 1 1 34 6  18 o 2.8680  0.7208 0.8241000      1.442000  
1 1 1 34 6  19 o 2.1200  0.6717 0.6189000      1.343000  
1 1 1 34 6  20 o 2.6870  0.7170 1.686000       1.434000  
1 1 1 34 6  21 o 3.6120  0.8222 0.5124000      1.644000  
1 1 1 34 6  22 o 3.4870  0.7827 0.4463000      1.565000  
1 1 1 34 6  23 o 3.1290  0.7340 -0.7271000     1.468000  
1 1 1 34 6  24 o 2.9610  0.8340 0.9568000E-01  1.668000  
1 1 1 34 6  25 o 3.2890  0.7957 0.4589000      1.591000  
1 1 1 34 6  26 o 2.7260  0.6992 1.374000       1.398000  
1 1 1 34 6  27 o 3.4440  0.7432 0.2181000      1.486000  
1 1 1 34 6  28 o 2.5550  0.7121 0.2919000      1.424000  
1 1 1 34 6  29 o 2.8470  0.7310 0.3505000      1.462000  
1 1 1 34 6  30 o 2.0140  0.6341 -0.5873000     1.268000  
1 1 1 34 6  31 o 2.5670  0.7468 -0.3265000     1.494000  
1 1 1 34 6  32 o 2.5810  0.7466 0.1873000      1.493000  
1 1 1 34 7  0  o 2.2200  1.2550 0.000000       0.000000  
1 1 1 34 7  1  o 3.9670  0.7639 -0.9200000E-01 1.528000  
1 1 1 34 7  2  o 6.0540  0.5507 -1.391000      1.101000  
1 1 1 34 7  3  o 2.1920  0.6736 -0.2753000     1.347000  
1 1 1 34 7  4  o 2.1220  0.6545 0.3731000      1.309000  
1 1 1 34 7  5  o 4.5330  0.6273 -1.341000      1.255000  
1 1 1 34 7  6  o 4.0320  0.7011 1.807000       1.402000  
1 1 1 34 7  7  o 5.0240  0.5702 0.9046000      1.140000  
1 1 1 34 7  8  f 4.8260  0.6110 2.701000       1.222000  
1 1 1 34 7  9  o 5.7680  0.4898 0.1514000      0.9796000 
1 1 1 34 7  10 o 2.4690  0.6752 1.125000       1.350000  
1 1 1 34 7  11 o 2.7510  0.7360 0.2148000      1.472000  
1 1 1 34 7  12 o 2.4960  0.7122 0.9731000      1.424000  
1 1 1 34 7  13 o 3.1340  0.6816 -1.144000      1.363000  
1 1 1 34 7  14 o 3.5910  0.7264 -0.4935000     1.453000  
1 1 1 34 7  15 o 4.9300  0.5810 -0.7567000     1.162000  
1 1 1 34 7  16 o 3.5720  0.7011 1.177000       1.402000  
1 1 1 34 7  17 o 4.0350  0.7111 0.2508000      1.422000  
1 1 1 34 7  18 o 3.2530  0.7735 0.5198000      1.547000  
1 1 1 34 7  19 o 2.8340  0.7165 -1.262000      1.433000  
1 1 1 34 7  20 o 2.8570  0.7630 -0.1941000     1.526000  
1 1 1 34 7  21 o 3.9870  0.6544 2.105000       1.309000  
1 1 1 34 7  22 o 3.4090  0.6978 -1.593000      1.396000  
1 1 1 34 7  23 o 3.4230  0.7372 1.980000       1.474000  
1 1 1 34 7  24 o 2.9200  0.7326 -0.1936000E-01 1.465000  
1 1 1 34 7  25 o 4.4220  0.6428 2.257000       1.286000  
1 1 1 34 7  26 o 1.8500  0.6170 0.3273000      1.234000  
1 1 1 34 7  27 o 2.7850  0.7141 0.8270000      1.428000  
1 1 1 34 7  28 o 2.5980  0.7434 -0.3485000     1.487000  
1 1 1 34 7  29 o 2.7950  0.7674 0.1710000E-02  1.535000  
1 1 1 34 7  30 o 2.5340  0.7436 -0.1054000     1.487000  
1 1 1 34 7  31 o 1.5880  0.5543 -0.4536000     1.109000  
1 1 1 34 8  0  o 3.3870  1.3490 0.000000       0.000000  
1 1 1 34 8  1  o 3.1370  0.7596 -0.8228000     1.519000  
1 1 1 34 8  2  o 5.7010  0.6029 2.076000       1.206000  
1 1 1 34 8  3  o 2.2630  0.6802 -0.9664000     1.360000  
1 1 1 34 8  4  o 3.6430  0.7525 -0.2557000     1.505000  
1 1 1 34 8  5  o 8.6950  0.3948 0.1197000      0.7895000 
1 1 1 34 8  6  o 3.6500  0.7359 -1.193000      1.472000  
1 1 1 34 8  7  o 3.4730  0.6481 -2.298000      1.296000  
1 1 1 34 8  8  o 1.6850  0.5663 0.2822000E-02  1.133000  
1 1 1 34 8  9  o 2.5210  0.7030 -0.2799000     1.406000  
1 1 1 34 8  10 o 3.5220  0.7152 0.5854000      1.430000  
1 1 1 34 8  11 o 3.1840  0.7595 -0.3343000     1.519000  
1 1 1 34 8  12 o 3.6740  0.7206 -0.1035000     1.441000  
1 1 1 34 8  13 o 1.7400  0.5747 0.4014000      1.149000  
1 1 1 34 8  14 o 2.7900  0.7154 0.8738000      1.431000  
1 1 1 34 8  15 o 2.2630  0.6732 -0.9442000     1.346000  
1 1 1 34 8  16 o 5.2250  0.6449 -1.083000      1.290000  
1 1 1 34 8  17 o 7.3870  0.4155 1.457000       0.8310000 
1 1 1 34 8  18 o 5.0100  0.6000 0.7832000      1.200000  
1 1 1 34 8  19 o 1.7020  0.5738 -0.2400000     1.148000  
1 1 1 34 8  20 o 5.0890  0.5860 1.273000       1.172000  
1 1 1 34 8  21 o 2.5570  0.6760 -1.568000      1.352000  
1 1 1 34 8  22 o 1.8540  0.6059 -0.1602000     1.212000  
1 1 1 34 8  23 o 2.6010  0.6796 -1.375000      1.359000  
1 1 1 34 8  24 o 1.7490  0.5794 0.5437000      1.159000  
1 1 1 34 8  25 o 2.9550  0.7365 0.2544000      1.473000  
1 1 1 34 8  26 o 2.9770  0.6412 2.250000       1.282000  
1 1 1 34 8  27 o 7.4340  0.4612 -0.2346000     0.9223000 
1 1 1 34 8  28 o 2.2470  0.7116 -0.5456000     1.423000  
1 1 1 34 8  29 o 2.6760  0.8044 -1.558000      1.609000  
1 1 1 34 8  30 o 4.9160  0.7881 1.908000       1.576000  
1 1 1 34 8  31 o 3.3330  0.8756 -1.531000      1.751000  
1 1 1 34 9  0  o 1.1120  0.7885 0.000000       0.000000  
1 1 1 34 9  1  o 2.3110  0.6456 -1.347000      1.291000  
1 1 1 34 9  2  o 2.8080  0.7186 0.6789000      1.437000  
1 1 1 34 9  3  f 2.1030  0.6616 -0.1555000     1.323000  
1 1 1 34 9  4  o 2.7290  0.7257 -1.215000      1.451000  
1 1 1 34 9  5  o 6.0030  0.5137 0.2392000      1.027000  
1 1 1 34 9  6  o 4.0970  0.6637 2.371000       1.327000  
1 1 1 34 9  7  o 4.9200  0.6374 1.629000       1.275000  
1 1 1 34 9  8  o 2.7290  0.7292 -1.135000      1.458000  
1 1 1 34 9  9  o 4.8400  0.6358 0.2503000      1.272000  
1 1 1 34 9  10 o 3.4550  0.6935 1.866000       1.387000  
1 1 1 34 9  11 o 2.9300  0.7564 1.061000       1.513000  
1 1 1 34 9  12 o 3.6810  0.7685 1.177000       1.537000  
1 1 1 34 9  13 o 2.1650  0.6614 -1.257000      1.323000  
1 1 1 34 9  14 o 2.2110  0.7238 -0.6930000     1.448000  
1 1 1 34 9  15 o 2.1770  0.6766 1.145000       1.353000  
1 1 1 34 9  16 o 2.7820  0.7630 0.1469000      1.526000  
1 1 1 34 9  17 o 2.2430  0.6878 0.6358000      1.376000  
1 1 1 34 9  18 o 3.6720  0.6452 -1.633000      1.290000  
1 1 1 34 9  19 o 5.6330  0.4974 2.168000       0.9947000 
1 1 1 34 9  20 o 2.2850  0.7023 0.4458000      1.405000  
1 1 1 34 9  21 o 2.0860  0.6512 -0.1717000     1.302000  
1 1 1 34 9  22 o 2.5850  0.7149 -0.2187000     1.430000  
1 1 1 34 9  23 o 2.7430  0.7028 -1.132000      1.406000  
1 1 1 34 9  24 o 3.3150  0.7927 0.8876000      1.585000  
1 1 1 34 9  25 o 4.9640  0.6737 0.4864000      1.347000  
1 1 1 34 9  26 o 3.9200  0.7127 1.929000       1.425000  
1 1 1 34 9  27 o 2.3540  0.7189 -0.3312000     1.438000  
1 1 1 34 9  28 o 3.4720  0.7505 1.203000       1.501000  
1 1 1 34 9  29 f 1.8170  0.6161 0.5452000      1.232000  
1 1 1 34 9  30 o 2.5160  0.7667 0.1978000      1.533000  
1 1 1 34 10 0  o 1.4460  0.9567 0.000000       0.000000  
1 1 1 34 10 1  o 2.2560  0.6745 -0.6233000     1.349000  
1 1 1 34 10 2  o 4.6280  0.6534 -1.742000      1.307000  
1 1 1 34 10 3  o 4.3990  0.6301 1.172000       1.260000  
1 1 1 34 10 4  o 4.2810  0.6362 1.461000       1.272000  
1 1 1 34 10 5  o 5.3200  0.5176 -0.2499000     1.035000  
1 1 1 34 10 6  o 4.1340  0.6551 0.5100000E-01  1.310000  
1 1 1 34 10 7  o 2.5620  0.6870 -0.9821000     1.374000  
1 1 1 34 10 8  o 4.6750  0.6563 3.252000       1.313000  
1 1 1 34 10 9  o 3.4370  0.7237 -0.3361000     1.447000  
1 1 1 34 10 10 o 1.8970  0.6089 0.6881000      1.218000  
1 1 1 34 10 11 o 3.0420  0.7773 0.8197000      1.555000  
1 1 1 34 10 12 o 4.2140  0.7547 -0.4241000     1.509000  
1 1 1 34 10 13 o 3.1870  0.7132 2.466000       1.426000  
1 1 1 34 10 14 o 2.2690  0.7301 0.1759000      1.460000  
1 1 1 34 10 15 o 4.2030  0.8443 1.062000       1.689000  
1 1 1 34 10 16 o 3.0240  0.8450 -1.135000      1.690000  
1 1 1 34 10 17 o 1.8340  0.6001 0.9719000E-01  1.200000  
1 1 1 34 10 18 o 2.8410  0.7638 0.9776000      1.528000  
1 1 1 34 10 19 o 4.2240  0.7131 0.6019000      1.426000  
1 1 1 34 10 20 o 3.4970  0.7593 -1.171000      1.519000  
1 1 1 34 10 21 f 2.8210  0.7547 -0.7264000     1.509000  
1 1 1 34 10 22 o 2.4590  0.6938 -1.813000      1.388000  
1 1 1 34 10 23 o 1.8360  0.6062 0.3515000      1.212000  
1 1 1 34 10 24 o 2.4870  0.7112 -1.593000      1.422000  
1 1 1 34 10 25 o 3.9870  0.7547 -1.369000      1.509000  
1 1 1 34 10 26 o 2.5430  0.7433 -0.6644000     1.487000  
1 1 1 34 10 27 o 3.2010  0.7389 1.216000       1.478000  
1 1 1 34 10 28 o 4.6370  0.7120 0.4822000      1.424000  
1 1 1 34 11 0  o 1.5790  1.0490 0.000000       0.000000  
1 1 1 34 11 1  o 4.6480  0.6143 -1.977000      1.229000  
1 1 1 34 11 2  o 2.5690  0.7060 -0.2557000E-01 1.412000  
1 1 1 34 11 3  o 2.2220  0.6404 1.164000       1.281000  
1 1 1 34 11 4  o 4.6260  0.5987 -0.2642000     1.197000  
1 1 1 34 11 5  o 2.1380  0.6547 0.1840000      1.309000  
1 1 1 34 11 6  o 2.6340  0.6902 -1.044000      1.380000  
1 1 1 34 11 7  o 5.5180  0.5198 -1.408000      1.040000  
1 1 1 34 11 8  o 3.2690  0.7255 -0.1262000     1.451000  
1 1 1 34 11 9  o 3.5940  0.7058 -0.5396000     1.412000  
1 1 1 34 11 10 o 2.6950  0.7462 0.5595000      1.492000  
1 1 1 34 11 11 o 2.0280  0.6524 0.2483000      1.305000  
1 1 1 34 11 12 o 3.0560  0.7612 0.7031000      1.522000  
1 1 1 34 11 13 o 3.2150  0.7814 0.2135000      1.563000  
1 1 1 34 11 14 o 2.2850  0.7171 0.3596000      1.434000  
1 1 1 34 11 15 o 4.5210  0.7308 2.210000       1.462000  
1 1 1 34 11 16 o 2.3510  0.6886 -0.3905000     1.377000  
1 1 1 34 11 17 o 4.3580  0.7261 1.192000       1.452000  
1 1 1 34 11 18 o 3.9120  0.6470 2.863000       1.294000  
1 1 1 34 11 19 o 7.1680  0.4599 0.6436000E-01  0.9198000 
1 1 1 34 11 20 o 2.2310  0.6874 -0.9940000     1.375000  
1 1 1 34 11 21 o 2.0220  0.6369 -0.7128000E-01 1.274000  
1 1 1 34 11 22 o 8.1150  0.3601 0.8429000      0.7201000 
1 1 1 34 11 23 o 2.1520  0.6845 -0.5706000     1.369000  
1 1 1 34 11 24 o 3.0530  0.6577 2.141000       1.315000  
1 1 1 34 11 25 o 1.9570  0.6458 -0.7126000     1.292000  
1 1 1 34 11 26 o 5.6400  0.5988 0.6517000      1.198000  
1 1 1 34 11 27 o 2.5350  0.7255 0.5545000      1.451000  
1 1 1 34 12 0  o 6.7940  0.5963 0.000000       0.000000  
1 1 1 34 12 1  o 4.8020  0.6465 0.6982000E-01  1.293000  
1 1 1 34 12 2  o 5.4820  0.5705 0.3435000      1.141000  
1 1 1 34 12 3  o 2.1740  0.6498 -0.8923000     1.300000  
1 1 1 34 12 4  o 3.7960  0.6868 -0.6232000     1.374000  
1 1 1 34 12 5  o 3.6490  0.6694 -1.835000      1.339000  
1 1 1 34 12 6  o 2.2890  0.6791 -0.3584000     1.358000  
1 1 1 34 12 7  o 6.0850  0.4590 -0.5619000     0.9181000 
1 1 1 34 12 8  o 2.2660  0.6739 0.3764000      1.348000  
1 1 1 34 12 9  o 2.6830  0.7193 0.1851000      1.439000  
1 1 1 34 12 10 o 4.0090  0.7383 0.8262000      1.477000  
1 1 1 34 12 11 o 6.5870  0.4778 0.2648000      0.9557000 
1 1 1 34 12 12 o 2.6420  0.8111 0.7578000      1.622000  
1 1 1 34 12 13 o 3.2390  0.7937 -1.294000      1.587000  
1 1 1 34 12 14 o 5.2050  0.6949 -0.8288000     1.390000  
1 1 1 34 12 15 o 3.2720  0.7381 -2.064000      1.476000  
1 1 1 34 12 16 o 2.3560  0.6888 0.3497000      1.378000  
1 1 1 34 12 17 o 2.9750  0.7091 -2.212000      1.418000  
1 1 1 34 12 18 o 2.2920  0.6999 0.9028000E-01  1.400000  
1 1 1 34 12 19 o 3.1810  0.8394 0.4370000E-01  1.679000  
1 1 1 34 12 20 o 7.5040  0.4692 1.304000       0.9385000 
1 1 1 34 12 21 o 2.1340  0.6528 0.7355000      1.306000  
1 1 1 34 12 22 o 2.4320  0.6876 -0.6600000     1.375000  
1 1 1 34 12 23 o 5.3440  0.5508 1.749000       1.102000  
1 1 1 34 12 24 o 2.9520  0.7234 -0.3153000     1.447000  
1 1 1 34 12 25 o 3.5990  0.7459 1.165000       1.492000  
1 1 1 34 13 0  o 1.6450  1.0380 0.000000       0.000000  
1 1 1 34 13 1  o 3.9960  0.6642 0.7056000      1.328000  
1 1 1 34 13 2  o 2.8200  0.7236 -0.1526000     1.447000  
1 1 1 34 13 3  o 2.7020  0.7287 0.4703000      1.457000  
1 1 1 34 13 4  o 4.8030  0.6057 -2.331000      1.211000  
1 1 1 34 13 5  o 3.7680  0.6641 -1.760000      1.328000  
1 1 1 34 13 6  o 3.7690  0.6947 -1.029000      1.389000  
1 1 1 34 13 7  o 2.5960  0.7040 -0.7742000     1.408000  
1 1 1 34 13 8  o 4.1450  0.6699 -0.4007000     1.340000  
1 1 1 34 13 9  o 5.2700  0.5597 -1.482000      1.119000  
1 1 1 34 13 10 o 4.1030  0.7391 0.5043000      1.478000  
1 1 1 34 13 11 o 4.4910  0.8906 ?              ?         
1 1 1 34 13 12 o 9.1430  0.3955 1.344000       0.7911000 
1 1 1 34 13 13 o 4.4190  0.7750 -1.249000      1.550000  
1 1 1 34 13 14 o 2.6370  0.7738 -0.1598000     1.548000  
1 1 1 34 13 15 o 2.0110  0.6666 0.1698000E-01  1.333000  
1 1 1 34 13 16 o 1.9850  0.6461 -0.1302000     1.292000  
1 1 1 34 13 17 o 1.9400  0.6635 -0.5899000     1.327000  
1 1 1 34 13 18 o 5.6300  0.7299 -2.121000      1.460000  
1 1 1 34 13 19 o 3.6260  0.7276 -2.248000      1.455000  
1 1 1 34 13 20 o 2.4210  0.7156 -0.1785000     1.431000  
1 1 1 34 13 21 o 2.0040  0.6279 -0.9039000     1.256000  
1 1 1 34 13 22 o 4.0680  0.6554 1.899000       1.311000  
1 1 1 34 13 23 o 2.4970  0.7051 -0.2068000     1.410000  
1 1 1 34 14 0  o 2.3480  1.2160 0.000000       0.000000  
1 1 1 34 14 1  o 2.2560  0.6551 1.073000       1.310000  
1 1 1 34 14 2  o 6.2460  0.4618 -1.225000      0.9236000 
1 1 1 34 14 3  o 5.4230  0.5182 -0.1163000     1.036000  
1 1 1 34 14 4  o 2.2310  0.6878 -0.3067000     1.376000  
1 1 1 34 14 5  o 2.9080  0.7535 -0.6496000     1.507000  
1 1 1 34 14 6  o 5.6610  0.4970 -0.1264000E-01 0.9941000 
1 1 1 34 14 7  o 3.6530  0.6700 1.920000       1.340000  
1 1 1 34 14 8  o 5.0610  0.5878 1.613000       1.176000  
1 1 1 34 14 9  o 2.8270  0.7292 0.5164000      1.458000  
1 1 1 34 14 10 o 1.6480  0.5622 0.5023000E-01  1.124000  
1 1 1 34 14 11 o 1.9250  0.6142 -0.5070000     1.228000  
1 1 1 34 14 12 o 2.4210  0.7046 -0.3672000     1.409000  
1 1 1 34 14 13 o 1.8710  0.6334 0.3995000E-01  1.267000  
1 1 1 34 14 14 o 2.5130  0.7870 -0.6604000     1.574000  
1 1 1 34 14 15 o 1.8560  0.6092 0.4893000      1.218000  
1 1 1 34 14 16 o 2.3300  0.6965 0.5949000      1.393000  
1 1 1 34 14 17 o 2.3330  0.7177 -0.7798000     1.435000  
1 1 1 34 14 18 o 3.7110  0.7494 1.265000       1.499000  
1 1 1 34 14 19 o 2.7390  0.7278 0.2219000      1.456000  
1 1 1 34 14 20 o 3.2090  0.7356 0.3603000      1.471000  
1 1 1 34 14 21 o 1.6320  0.5558 0.1757000      1.112000  
1 1 1 34 15 0  o 9.9980  0.3774 0.000000       0.000000  
1 1 1 34 15 1  o 3.9680  0.6083 -0.7032000     1.217000  
1 1 1 34 15 2  o 5.2190  0.4719 -0.4469000E-01 0.9439000 
1 1 1 34 15 3  o 3.4490  0.6548 0.7900000      1.310000  
1 1 1 34 15 4  o 4.0350  0.6029 0.2587000      1.206000  
1 1 1 34 15 5  o 2.4220  0.6539 0.8122000      1.308000  
1 1 1 34 15 6  o 3.3700  0.6009 -2.843000      1.202000  
1 1 1 34 15 7  f 2.3260  0.6751 0.3773000      1.350000  
1 1 1 34 15 8  o 6.7300  0.4081 -0.4412000     0.8162000 
1 1 1 34 15 9  o 6.9450  0.4438 1.347000       0.8877000 
1 1 1 34 15 10 o 2.5230  0.7600 -0.7569000E-02 1.520000  
1 1 1 34 15 11 o 2.9190  0.7517 -0.1898000     1.503000  
1 1 1 34 15 12 o 2.5620  1.0890 ?              ?         
1 1 1 34 15 13 o 2.9930  0.8515 0.3511000      1.703000  
1 1 1 34 15 14 o 2.8610  0.8180 -1.379000      1.636000  
1 1 1 34 15 15 o 1.9770  0.6342 -0.4148000     1.268000  
1 1 1 34 15 16 o 1.8110  0.6116 -0.1012000     1.223000  
1 1 1 34 15 17 o 2.4700  0.7247 -1.646000      1.449000  
1 1 1 34 15 18 o 2.8740  0.7594 0.6878000      1.519000  
1 1 1 34 15 19 o 4.3400  0.9038 -0.6258000     1.808000  
1 1 1 34 16 0  o 4.2150  0.9110 0.000000       0.000000  
1 1 1 34 16 1  o 2.8050  0.6644 1.126000       1.329000  
1 1 1 34 16 2  o 5.7890  0.4235 -0.3127000     0.8469000 
1 1 1 34 16 3  o 2.7190  0.6816 -0.3610000     1.363000  
1 1 1 34 16 4  o 2.2290  0.6480 -0.1044000     1.296000  
1 1 1 34 16 5  o 3.9370  0.6590 0.3693000      1.318000  
1 1 1 34 16 6  o 3.0720  0.6547 -1.583000      1.309000  
1 1 1 34 16 7  o 3.8220  0.6612 0.8234000      1.322000  
1 1 1 34 16 8  o 1.9190  0.6160 -0.7234000E-01 1.232000  
1 1 1 34 16 9  o 2.3550  0.7124 -0.3876000     1.425000  
1 1 1 34 16 10 o 2.3500  0.7153 0.1872000      1.431000  
1 1 1 34 16 11 o 4.0710  0.6197 0.1922000      1.239000  
1 1 1 34 16 12 o 4.3920  0.7746 1.857000       1.549000  
1 1 1 34 16 13 o 3.8680  0.8615 -0.4734000     1.723000  
1 1 1 34 16 14 o 5.1560  0.5800 1.084000       1.160000  
1 1 1 34 16 15 o 4.2070  0.6608 -0.1218000     1.322000  
1 1 1 34 17 0  o 1.2230  0.8384 0.000000       0.000000  
1 1 1 34 17 1  o 2.3240  0.6579 -0.3674000     1.316000  
1 1 1 34 17 2  o 3.2670  0.6523 -1.232000      1.305000  
1 1 1 34 17 3  o 1.8520  0.5875 -0.4085000     1.175000  
1 1 1 34 17 4  o 3.6630  0.6781 0.6537000      1.356000  
1 1 1 34 17 5  o 2.1900  0.6266 0.8768000      1.253000  
1 1 1 34 17 6  o 2.4450  0.6664 -0.5646000     1.333000  
1 1 1 34 17 7  o 3.8420  0.6747 -0.8510000     1.349000  
1 1 1 34 17 8  o 3.2820  0.7006 -0.9865000     1.401000  
1 1 1 34 17 9  o 2.5210  0.7368 1.052000       1.474000  
1 1 1 34 17 10 o 2.1180  0.6516 1.642000       1.303000  
1 1 1 34 17 11 o 1.8380  0.6102 -0.2616000     1.220000  
1 1 1 35 0  1  o 5.5500  0.7266 0.000000       0.000000  
1 1 1 35 0  2  o 1.8500  1.1350 0.000000       0.000000  
1 1 1 35 0  3  o 2.0250  1.1850 0.000000       0.000000  
1 1 1 35 0  4  o 3.2280  1.2750 0.000000       0.000000  
1 1 1 35 0  5  o 1.8410  1.1730 0.000000       0.000000  
1 1 1 35 0  6  o 4.0540  1.1710 0.000000       0.000000  
1 1 1 35 0  7  o 3.7550  1.3850 0.000000       0.000000  
1 1 1 35 0  8  o 3.3430  1.4100 0.000000       0.000000  
1 1 1 35 0  9  o 6.7030  0.7807 0.000000       0.000000  
1 1 1 35 0  10 o 3.7730  1.3840 0.000000       0.000000  
1 1 1 35 0  11 o 5.9990  0.7155 0.000000       0.000000  
1 1 1 35 0  12 o 7.4350  0.5729 0.000000       0.000000  
1 1 1 35 0  13 o 3.6000  1.2200 0.000000       0.000000  
1 1 1 35 0  14 o 1.8880  1.1400 0.000000       0.000000  
1 1 1 35 0  15 o 8.7910  0.4983 0.000000       0.000000  
1 1 1 35 0  16 o 2.2780  1.2520 0.000000       0.000000  
1 1 1 35 0  17 o 5.9800  0.9323 0.000000       0.000000  
1 1 1 35 0  18 o 2.6560  1.3930 0.000000       0.000000  
1 1 1 35 0  19 o 1.8410  1.1320 0.000000       0.000000  
1 1 1 35 0  20 o 2.4150  1.2500 0.000000       0.000000  
1 1 1 35 0  21 o 2.7600  1.2900 0.000000       0.000000  
1 1 1 35 0  22 o 1.5870  1.0330 0.000000       0.000000  
1 1 1 35 0  23 o 3.0920  1.2850 0.000000       0.000000  
1 1 1 35 0  24 o 2.6590  1.2830 0.000000       0.000000  
1 1 1 35 0  25 o 1.3640  0.9299 0.000000       0.000000  
1 1 1 35 0  26 f 1.3480  0.9228 0.000000       0.000000  
1 1 1 35 0  27 o 1.3040  0.8970 0.000000       0.000000  
1 1 1 35 0  28 o 3.9770  1.1800 0.000000       0.000000  
1 1 1 35 0  29 o 1.4980  0.9943 0.000000       0.000000  
1 1 1 35 0  30 o 5.2000  0.8729 0.000000       0.000000  
1 1 1 35 1  0  o 3.4520  1.2880 0.000000       0.000000  
1 1 1 35 1  1  o 8.3620  0.3582 1.010000       0.7165000 
1 1 1 35 1  2  o 2.8970  0.6730 -2.103000      1.346000  
1 1 1 35 1  3  o 7.4800  0.4541 0.3825000      0.9082000 
1 1 1 35 1  4  o 7.7400  0.4404 -1.198000      0.8808000 
1 1 1 35 1  5  o 4.0230  0.7082 -1.081000      1.416000  
1 1 1 35 1  6  o 3.6670  0.8284 0.2911000E-01  1.657000  
1 1 1 35 1  7  o 2.0630  0.6661 0.2864000      1.332000  
1 1 1 35 1  8  o 6.4650  0.5565 -0.8696000E-01 1.113000  
1 1 1 35 1  9  o 2.2260  0.6926 0.2664000      1.385000  
1 1 1 35 1  10 o 3.2430  0.7670 0.6576000      1.534000  
1 1 1 35 1  11 o 5.7240  0.5104 -0.2840000     1.021000  
1 1 1 35 1  12 o 4.2080  0.6248 3.004000       1.250000  
1 1 1 35 1  13 o 3.2950  0.7365 0.4986000      1.473000  
1 1 1 35 1  14 o 3.1250  0.7386 0.7530000      1.477000  
1 1 1 35 1  15 o 6.2560  0.5287 -1.502000      1.057000  
1 1 1 35 1  16 o 3.1270  0.7558 0.1251000      1.512000  
1 1 1 35 1  17 o 4.1750  0.7535 0.8990000      1.507000  
1 1 1 35 1  18 f 2.6960  0.7370 1.465000       1.474000  
1 1 1 35 1  19 o 1.9550  0.6316 -0.5183000     1.263000  
1 1 1 35 1  20 o 5.0280  0.6882 1.902000       1.376000  
1 1 1 35 1  21 o 1.9480  0.6314 0.2399000      1.263000  
1 1 1 35 1  22 o 3.9280  0.6921 -1.274000      1.384000  
1 1 1 35 1  23 o 1.8350  0.6028 0.5156000      1.206000  
1 1 1 35 1  24 o 4.0500  0.7059 -0.2353000     1.412000  
1 1 1 35 1  25 o 2.4250  0.7026 0.6815000      1.405000  
1 1 1 35 1  26 o 2.7370  0.6944 1.484000       1.389000  
1 1 1 35 1  27 o 2.7810  0.6761 1.783000       1.352000  
1 1 1 35 1  28 o 3.2610  0.7498 0.4274000      1.500000  
1 1 1 35 1  29 o 4.9870  0.6149 -0.2008000     1.230000  
1 1 1 35 1  30 o 5.4860  0.6374 -0.2184000     1.275000  
1 1 1 35 2  0  o 4.0170  1.1270 0.000000       0.000000  
1 1 1 35 2  1  o 5.3670  0.5660 -1.664000      1.132000  
1 1 1 35 2  2  o 3.8960  0.7045 -1.029000      1.409000  
1 1 1 35 2  3  o 2.2700  0.6662 -0.5542000     1.332000  
1 1 1 35 2  4  o 3.8510  0.7603 -1.552000      1.521000  
1 1 1 35 2  5  o 2.4020  0.7447 0.2375000      1.489000  
1 1 1 35 2  6  o 2.9940  0.8224 0.9967000      1.645000  
1 1 1 35 2  7  o 3.5610  0.7744 0.5559000      1.549000  
1 1 1 35 2  8  o 4.7380  0.5906 -0.9144000     1.181000  
1 1 1 35 2  9  o 5.0630  0.6541 -0.1875000     1.308000  
1 1 1 35 2  10 o 3.6270  0.7546 1.078000       1.509000  
1 1 1 35 2  11 o 6.2170  0.5371 -1.524000      1.074000  
1 1 1 35 2  12 o 2.0660  0.6492 0.3425000      1.298000  
1 1 1 35 2  13 o 2.5540  0.7193 0.6871000      1.439000  
1 1 1 35 2  14 o 4.4580  0.7068 0.5646000      1.414000  
1 1 1 35 2  15 o 2.9280  0.7649 -0.2215000     1.530000  
1 1 1 35 2  16 o 1.9500  0.6291 0.6845000E-01  1.258000  
1 1 1 35 2  17 o 2.5090  0.6701 1.539000       1.340000  
1 1 1 35 2  18 o 8.8120  0.3560 1.319000       0.7121000 
1 1 1 35 2  19 o 3.8350  0.7347 0.2375000      1.469000  
1 1 1 35 2  20 o 3.8050  0.7800 -0.4735000E-01 1.560000  
1 1 1 35 2  21 o 4.9140  0.7399 -1.680000      1.480000  
1 1 1 35 2  22 o 2.4810  0.7376 -0.8455000     1.475000  
1 1 1 35 2  23 o 2.1150  0.6618 -0.3118000     1.324000  
1 1 1 35 2  24 o 2.9810  0.7292 1.058000       1.458000  
1 1 1 35 2  25 o 7.3020  0.4165 -0.9204000E-01 0.8329000 
1 1 1 35 2  26 o 1.9960  0.6292 -0.9026000     1.258000  
1 1 1 35 2  27 o 1.6390  0.5593 -0.2993000E-01 1.119000  
1 1 1 35 2  28 o 4.6260  0.6409 -0.9743000     1.282000  
1 1 1 35 2  29 f 2.5230  0.7300 -0.5573000     1.460000  
1 1 1 35 2  30 o 2.6340  0.7324 -0.2885000     1.465000  
1 1 1 35 3  0  o 2.9310  1.2740 0.000000       0.000000  
1 1 1 35 3  1  o 5.1070  0.5678 0.7992000E-01  1.136000  
1 1 1 35 3  2  o 3.2600  0.7605 0.1182000      1.521000  
1 1 1 35 3  3  o 2.4040  0.7029 -0.1823000     1.406000  
1 1 1 35 3  4  o 6.3520  0.5124 -0.4039000     1.025000  
1 1 1 35 3  5  o 4.4380  0.7887 -0.5504000     1.577000  
1 1 1 35 3  6  o 3.2490  0.8349 0.3106000      1.670000  
1 1 1 35 3  7  o 3.5010  0.6894 -1.722000      1.379000  
1 1 1 35 3  8  o 2.2330  0.6661 0.6843000      1.332000  
1 1 1 35 3  9  o 3.8310  0.6881 0.5131000      1.376000  
1 1 1 35 3  10 o 7.8840  0.3871 1.258000       0.7742000 
1 1 1 35 3  11 o 3.8450  0.7546 0.8867000      1.509000  
1 1 1 35 3  12 o 2.9130  0.7775 0.8334000      1.555000  
1 1 1 35 3  13 o 5.7580  0.5238 -1.477000      1.048000  
1 1 1 35 3  14 o 2.3050  0.7024 0.1042000E-01  1.405000  
1 1 1 35 3  15 o 2.6470  0.7203 -0.1606000     1.441000  
1 1 1 35 3  16 o 3.4360  0.6534 2.192000       1.307000  
1 1 1 35 3  17 o 3.3210  0.6455 -2.359000      1.291000  
1 1 1 35 3  18 o 2.6210  0.7213 -0.1832000     1.443000  
1 1 1 35 3  19 o 2.0160  0.6402 0.4090000      1.280000  
1 1 1 35 3  20 o 3.2230  0.7001 1.614000       1.400000  
1 1 1 35 3  21 o 2.2120  0.6942 -0.1627000E-01 1.388000  
1 1 1 35 3  22 o 3.8650  0.6822 -2.048000      1.364000  
1 1 1 35 3  23 o 2.3040  0.6980 0.4715000      1.396000  
1 1 1 35 3  24 o 1.7930  0.5970 0.1913000      1.194000  
1 1 1 35 3  25 o 4.5490  0.7025 1.171000       1.405000  
1 1 1 35 3  26 o 1.8500  0.6094 -0.1948000     1.219000  
1 1 1 35 3  27 o 2.0290  0.6472 -0.6435000     1.294000  
1 1 1 35 3  28 o 2.5770  0.7295 -0.1749000     1.459000  
1 1 1 35 3  29 o 2.9680  0.6262 2.637000       1.252000  
1 1 1 35 3  30 o 2.4380  0.7068 0.4636000      1.414000  
1 1 1 35 4  0  o 1.6260  1.0760 0.000000       0.000000  
1 1 1 35 4  1  o 2.1950  0.6891 0.5347000      1.378000  
1 1 1 35 4  2  o 4.4130  0.7028 1.987000       1.406000  
1 1 1 35 4  3  o 2.7060  0.7535 0.6396000      1.507000  
1 1 1 35 4  4  o 3.4190  0.6780 -1.739000      1.356000  
1 1 1 35 4  5  o 4.8490  0.5761 0.5660000E-01  1.152000  
1 1 1 35 4  6  o 4.5950  0.6691 -1.136000      1.338000  
1 1 1 35 4  7  o 4.1390  0.7046 0.3973000      1.409000  
1 1 1 35 4  8  o 2.4400  0.6961 1.423000       1.392000  
1 1 1 35 4  9  o 4.0130  0.6556 -1.345000      1.311000  
1 1 1 35 4  10 o 2.6470  0.7559 -0.6284000     1.512000  
1 1 1 35 4  11 o 6.4760  0.4642 0.6588000      0.9284000 
1 1 1 35 4  12 o 2.9180  0.7981 -0.8757000E-01 1.596000  
1 1 1 35 4  13 o 3.6300  0.6850 1.736000       1.370000  
1 1 1 35 4  14 o 2.4030  0.6845 -0.8475000     1.369000  
1 1 1 35 4  15 o 1.9120  0.6181 0.2839000      1.236000  
1 1 1 35 4  16 o 2.3530  0.6620 1.259000       1.324000  
1 1 1 35 4  17 o 2.6270  0.6850 -1.331000      1.370000  
1 1 1 35 4  18 o 1.9320  0.6156 0.7477000      1.231000  
1 1 1 35 4  19 o 2.6440  0.6603 1.710000       1.321000  
1 1 1 35 4  20 o 3.1650  0.7343 -0.7221000     1.469000  
1 1 1 35 4  21 o 2.5670  0.6899 1.159000       1.380000  
1 1 1 35 4  22 o 4.2620  0.6615 -1.926000      1.323000  
1 1 1 35 4  23 o 2.3330  0.7126 0.2173000      1.425000  
1 1 1 35 4  24 o 2.1000  0.6600 0.1229000      1.320000  
1 1 1 35 4  25 o 2.9200  0.7815 -0.3276000     1.563000  
1 1 1 35 4  26 o 2.6390  0.7513 1.166000       1.503000  
1 1 1 35 4  27 o 6.4630  0.4699 0.9277000      0.9397000 
1 1 1 35 4  28 o 4.8230  0.6221 0.8310000      1.244000  
1 1 1 35 4  29 o 1.7380  0.5858 0.1353000E-01  1.172000  
1 1 1 35 5  0  o 2.0290  1.2260 0.000000       0.000000  
1 1 1 35 5  1  o 2.8600  0.7653 0.9625000      1.531000  
1 1 1 35 5  2  o 2.7510  0.7752 -0.2530000     1.550000  
1 1 1 35 5  3  o 3.9890  0.7363 -0.6792000     1.473000  
1 1 1 35 5  4  o 2.5900  0.7155 -0.1420000E-01 1.431000  
1 1 1 35 5  5  o 2.0810  0.6517 -0.7576000E-01 1.303000  
1 1 1 35 5  6  o 5.7040  0.5444 -0.5009000     1.089000  
1 1 1 35 5  7  o 2.3710  0.7052 0.6008000      1.410000  
1 1 1 35 5  8  o 5.7820  0.5226 1.784000       1.045000  
1 1 1 35 5  9  o 5.4470  0.5581 1.046000       1.116000  
1 1 1 35 5  10 o 3.7590  0.7775 0.1613000      1.555000  
1 1 1 35 5  11 o 2.3620  0.7132 0.3817000E-01  1.426000  
1 1 1 35 5  12 o 1.8940  0.6048 0.8841000      1.210000  
1 1 1 35 5  13 o 2.2840  0.6604 0.8967000      1.321000  
1 1 1 35 5  14 o 2.8930  0.6788 1.751000       1.358000  
1 1 1 35 5  15 o 1.9110  0.6195 0.1869000E-01  1.239000  
1 1 1 35 5  16 o 2.9350  0.7288 -0.7764000     1.458000  
1 1 1 35 5  17 o 4.5150  0.6274 -0.5467000     1.255000  
1 1 1 35 5  18 o 2.7000  0.7168 0.5274000      1.434000  
1 1 1 35 5  19 o 3.2100  0.7387 0.1342000      1.477000  
1 1 1 35 5  20 o 2.9640  0.7310 0.5749000      1.462000  
1 1 1 35 5  21 o 2.9510  0.7107 1.237000       1.421000  
1 1 1 35 5  22 o 2.3240  0.6711 0.9678000      1.342000  
1 1 1 35 5  23 o 2.2240  0.6711 0.5671000      1.342000  
1 1 1 35 5  24 o 3.2380  0.8647 0.4677000      1.729000  
1 1 1 35 5  25 o 2.6380  0.6856 -1.629000      1.371000  
1 1 1 35 5  26 o 2.8490  0.7691 0.1344000      1.538000  
1 1 1 35 5  27 o 2.4140  0.7290 -0.2371000E-01 1.458000  
1 1 1 35 5  28 o 3.5270  0.7964 0.4415000      1.593000  
1 1 1 35 5  29 f 2.0810  0.6707 -0.8000000E-01 1.341000  
1 1 1 35 6  0  o 2.8920  1.2770 0.000000       0.000000  
1 1 1 35 6  1  o 2.5070  0.7037 0.8304000      1.407000  
1 1 1 35 6  2  o 3.4250  0.7613 0.1930000      1.523000  
1 1 1 35 6  3  o 2.3320  0.7013 -0.6678000     1.403000  
1 1 1 35 6  4  o 2.9420  0.7311 0.9752000      1.462000  
1 1 1 35 6  5  o 4.3950  0.6952 -0.7506000E-02 1.390000  
1 1 1 35 6  6  o 4.5630  0.7275 -0.3250000     1.455000  
1 1 1 35 6  7  o 2.2690  0.6965 -0.7789000E-01 1.393000  
1 1 1 35 6  8  o 3.7320  0.7455 0.4707000      1.491000  
1 1 1 35 6  9  o 3.1180  0.8163 1.115000       1.633000  
1 1 1 35 6  10 f 4.2470  0.6259 -2.022000      1.252000  
1 1 1 35 6  11 o 4.0110  0.6638 -2.149000      1.328000  
1 1 1 35 6  12 o 2.7640  0.7341 -0.2317000E-01 1.468000  
1 1 1 35 6  13 o 3.5530  0.7275 -0.1712000     1.455000  
1 1 1 35 6  14 o 3.1970  0.6870 1.277000       1.374000  
1 1 1 35 6  15 o 4.2630  0.6032 0.5977000E-01  1.206000  
1 1 1 35 6  16 o 3.4430  0.7228 0.5886000      1.446000  
1 1 1 35 6  17 o 2.7670  0.7271 -0.2946000     1.454000  
1 1 1 35 6  18 o 2.8790  0.7076 -1.280000      1.415000  
1 1 1 35 6  19 o 2.4960  0.6747 -1.407000      1.349000  
1 1 1 35 6  20 o 3.2150  0.6727 1.911000       1.345000  
1 1 1 35 6  21 o 3.3200  0.7308 -0.8883000     1.462000  
1 1 1 35 6  22 o 1.8640  0.6086 0.3496000      1.217000  
1 1 1 35 6  23 o 2.4820  0.6927 -1.199000      1.385000  
1 1 1 35 6  24 o 2.5600  0.7260 -0.7222000     1.452000  
1 1 1 35 6  25 o 2.1350  0.6683 -0.5817000     1.337000  
1 1 1 35 6  26 o 3.0240  0.7725 -1.203000      1.545000  
1 1 1 35 6  27 o 2.7000  0.7557 1.222000       1.511000  
1 1 1 35 6  28 o 3.9100  0.8016 -1.275000      1.603000  
1 1 1 35 7  0  o 1.4470  0.9622 0.000000       0.000000  
1 1 1 35 7  1  f 2.1680  0.6550 -0.7385000     1.310000  
1 1 1 35 7  2  o 2.7040  0.6592 1.836000       1.318000  
1 1 1 35 7  3  o 2.1700  0.6664 -0.1320000     1.333000  
1 1 1 35 7  4  o 4.3810  0.6798 1.956000       1.360000  
1 1 1 35 7  5  o 3.5030  0.7557 0.3102000      1.511000  
1 1 1 35 7  6  o 4.8930  0.6506 0.2090000      1.301000  
1 1 1 35 7  7  o 6.1770  0.7259 -2.394000      1.452000  
1 1 1 35 7  8  o 6.1320  1.0950 ?              ?         
1 1 1 35 7  9  o 3.2920  0.7049 -2.450000      1.410000  
1 1 1 35 7  10 f 4.1670  0.6711 0.6774000E-01  1.342000  
1 1 1 35 7  11 o 5.9910  0.5327 -0.7705000     1.065000  
1 1 1 35 7  12 o 3.2200  0.6685 2.083000       1.337000  
1 1 1 35 7  13 o 4.1330  0.6686 1.985000       1.337000  
1 1 1 35 7  14 o 2.2140  0.6587 0.4793000      1.317000  
1 1 1 35 7  15 o 2.4590  0.6798 0.6619000      1.360000  
1 1 1 35 7  16 o 3.7130  0.6707 2.369000       1.341000  
1 1 1 35 7  17 o 2.8300  0.7303 0.1353000      1.461000  
1 1 1 35 7  18 o 3.1260  0.7348 0.4268000      1.470000  
1 1 1 35 7  19 o 2.7330  0.7217 -0.8112000     1.443000  
1 1 1 35 7  20 o 2.2950  0.6880 -0.1562000     1.376000  
1 1 1 35 7  21 o 3.4970  0.7348 2.330000       1.470000  
1 1 1 35 7  22 o 2.5900  0.7510 0.5250000      1.502000  
1 1 1 35 7  23 o 2.1490  0.6790 -0.2766000     1.358000  
1 1 1 35 7  24 o 2.1130  0.6642 -0.6334000     1.328000  
1 1 1 35 7  25 o 2.5610  0.7373 1.212000       1.475000  
1 1 1 35 7  26 o 3.8420  0.7491 2.021000       1.498000  
1 1 1 35 7  27 o 2.8820  0.7757 0.9328000      1.551000  
1 1 1 35 8  0  o 1.5710  1.0160 0.000000       0.000000  
1 1 1 35 8  1  o 2.9730  0.7346 -0.1900000     1.469000  
1 1 1 35 8  2  o 2.1190  0.6498 -0.7057000     1.300000  
1 1 1 35 8  3  o 4.4960  0.6362 1.988000       1.272000  
1 1 1 35 8  4  o 2.0640  0.6396 0.7770000      1.279000  
1 1 1 35 8  5  o 2.2430  0.6788 -0.9627000E-01 1.358000  
1 1 1 35 8  6  f 2.3760  0.7048 -0.5086000     1.410000  
1 1 1 35 8  7  o 2.6700  0.7308 -0.6697000     1.462000  
1 1 1 35 8  8  o 2.7870  0.7538 0.7277000      1.508000  
1 1 1 35 8  9  o 4.3260  0.7594 -0.2270000E-01 1.519000  
1 1 1 35 8  10 o 4.7290  0.6586 -2.670000      1.317000  
1 1 1 35 8  11 o 5.2360  0.7407 0.9384000      1.481000  
1 1 1 35 8  12 o 4.0650  0.7962 0.8967000      1.592000  
1 1 1 35 8  13 o 2.6150  0.7419 -0.2925000     1.484000  
1 1 1 35 8  14 o 4.8600  0.5873 -0.5724000     1.175000  
1 1 1 35 8  15 o 2.4610  0.7003 -0.1681000     1.401000  
1 1 1 35 8  16 o 3.2700  0.7200 0.7047000      1.440000  
1 1 1 35 8  17 o 2.4240  0.6932 0.2608000      1.386000  
1 1 1 35 8  18 o 2.5920  0.6798 -1.206000      1.360000  
1 1 1 35 8  19 o 2.3830  0.7146 -1.106000      1.429000  
1 1 1 35 8  20 o 3.5970  0.7927 1.461000       1.585000  
1 1 1 35 8  21 o 1.8670  0.6333 0.3876000E-01  1.267000  
1 1 1 35 8  22 o 2.8850  0.7732 -1.438000      1.546000  
1 1 1 35 8  23 o 2.6160  0.7773 0.3313000      1.555000  
1 1 1 35 8  24 o 2.2730  0.6602 -1.411000      1.320000  
1 1 1 35 8  25 o 5.3210  0.5995 1.795000       1.199000  
1 1 1 35 8  26 o 2.4980  0.6993 0.9518000      1.399000  
1 1 1 35 9  0  o 4.8800  0.8709 0.000000       0.000000  
1 1 1 35 9  1  o 3.7840  0.6729 1.899000       1.346000  
1 1 1 35 9  2  o 4.4910  0.6418 -0.6880000     1.284000  
1 1 1 35 9  3  o 2.0570  0.6477 0.2197000      1.295000  
1 1 1 35 9  4  f 1.8810  0.6174 0.9471000      1.235000  
1 1 1 35 9  5  o 3.8400  0.6923 -1.999000      1.385000  
1 1 1 35 9  6  o 4.5530  0.6337 0.2452000      1.267000  
1 1 1 35 9  7  o 4.2840  0.6867 -2.115000      1.373000  
1 1 1 35 9  8  o 3.1670  0.6800 2.619000       1.360000  
1 1 1 35 9  9  o 2.6720  0.7464 0.3560000      1.493000  
1 1 1 35 9  10 o 3.2040  0.7675 0.6727000      1.535000  
1 1 1 35 9  11 o 3.0830  0.7707 -0.4184000     1.541000  
1 1 1 35 9  12 o 3.1770  0.7198 1.308000       1.440000  
1 1 1 35 9  13 o 3.5010  0.6307 2.731000       1.261000  
1 1 1 35 9  14 o 2.3440  0.6824 0.4971000      1.365000  
1 1 1 35 9  15 o 2.4140  0.6718 0.8145000      1.344000  
1 1 1 35 9  16 o 2.6580  0.6838 -0.7145000     1.368000  
1 1 1 35 9  17 o 3.0500  0.7064 -0.5519000     1.413000  
1 1 1 35 9  18 o 2.3720  0.7063 1.109000       1.413000  
1 1 1 35 9  19 o 2.7660  0.7068 2.074000       1.414000  
1 1 1 35 9  20 o 3.8050  0.8156 0.3595000      1.631000  
1 1 1 35 9  21 o 2.5590  0.7670 -0.3486000     1.534000  
1 1 1 35 9  22 o 2.8100  0.7774 1.177000       1.555000  
1 1 1 35 9  23 o 2.6440  0.7545 0.5427000E-01  1.509000  
1 1 1 35 9  24 o 2.1200  0.6614 0.6483000      1.323000  
1 1 1 35 9  25 o 3.0130  0.7810 0.1255000      1.562000  
1 1 1 35 10 0  o 3.0440  1.2680 0.000000       0.000000  
1 1 1 35 10 1  o 4.8880  0.6039 -1.469000      1.208000  
1 1 1 35 10 2  o 4.0620  0.6809 0.9200000      1.362000  
1 1 1 35 10 3  o 2.1250  0.6703 0.5318000      1.341000  
1 1 1 35 10 4  o 2.8830  0.6872 1.576000       1.374000  
1 1 1 35 10 5  o 3.8690  0.6962 0.8074000      1.392000  
1 1 1 35 10 6  o 2.4370  0.7204 -0.6859000E-01 1.441000  
1 1 1 35 10 7  o 2.7150  0.7373 -0.6235000     1.475000  
1 1 1 35 10 8  o 2.7970  0.7582 -0.6911000E-01 1.516000  
1 1 1 35 10 9  o 4.6080  0.6840 -0.6653000     1.368000  
1 1 1 35 10 10 o 2.1510  0.6638 0.1623000      1.328000  
1 1 1 35 10 11 o 2.5670  0.7344 0.1931000      1.469000  
1 1 1 35 10 12 o 3.2420  0.7513 -1.453000      1.503000  
1 1 1 35 10 13 o 2.7980  0.7191 -1.789000      1.438000  
1 1 1 35 10 14 o 4.5920  0.6218 -0.5123000     1.244000  
1 1 1 35 10 15 o 2.6340  0.7122 0.4224000      1.424000  
1 1 1 35 10 16 o 2.2010  0.6661 0.4717000      1.332000  
1 1 1 35 10 17 o 2.4310  0.7153 1.171000       1.431000  
1 1 1 35 10 18 f 2.6770  0.7594 -0.1630000     1.519000  
1 1 1 35 10 19 o 4.0500  0.7223 -0.7626000     1.445000  
1 1 1 35 10 20 o 2.4570  0.7235 0.8091000      1.447000  
1 1 1 35 10 21 o 3.5200  0.7010 -0.9308000E-01 1.402000  
1 1 1 35 10 22 o 2.1680  0.6508 -1.167000      1.302000  
1 1 1 35 10 23 o 1.9100  0.6205 0.1754000      1.241000  
1 1 1 35 11 0  o 1.3910  0.9398 0.000000       0.000000  
1 1 1 35 11 1  o 4.8780  0.6466 0.4933000      1.293000  
1 1 1 35 11 2  o 2.8390  0.7233 -0.8830000     1.447000  
1 1 1 35 11 3  o 3.0490  0.6353 -2.328000      1.271000  
1 1 1 35 11 4  o 2.0760  0.6469 -0.3822000     1.294000  
1 1 1 35 11 5  o 3.1520  0.7252 -0.8142000     1.450000  
1 1 1 35 11 6  o 5.5320  0.5340 1.389000       1.068000  
1 1 1 35 11 7  o 3.2570  1.0530 ?              ?         
1 1 1 35 11 8  o 4.3570  0.7082 1.001000       1.416000  
1 1 1 35 11 9  o 3.5700  0.7703 -0.1200000     1.541000  
1 1 1 35 11 10 o 1.8630  0.6092 0.2151000      1.218000  
1 1 1 35 11 11 o 2.6860  0.7310 0.6916000      1.462000  
1 1 1 35 11 12 o 2.5250  0.7362 -0.1594000     1.472000  
1 1 1 35 11 13 o 2.2240  0.6761 -0.1711000     1.352000  
1 1 1 35 11 14 o 1.6770  0.5659 0.2728000E-01  1.132000  
1 1 1 35 11 15 o 2.1600  0.6577 -0.9090000     1.315000  
1 1 1 35 11 16 o 2.1610  0.6624 0.5450000      1.325000  
1 1 1 35 11 17 o 3.8160  0.8379 0.5247000      1.676000  
1 1 1 35 11 18 o 3.1110  0.7962 0.4156000      1.592000  
1 1 1 35 11 19 o 2.8340  0.7186 2.512000       1.437000  
1 1 1 35 11 20 o 4.5900  0.5974 -0.5116000     1.195000  
1 1 1 35 11 21 o 2.9860  0.7135 -0.2512000     1.427000  
1 1 1 35 11 22 o 3.2680  0.7550 1.054000       1.510000  
1 1 1 35 12 0  o 5.3910  0.9498 0.000000       0.000000  
1 1 1 35 12 1  o 4.9200  0.5978 -0.4277000     1.196000  
1 1 1 35 12 2  o 2.9320  0.7384 0.2070000      1.477000  
1 1 1 35 12 3  f 1.6630  0.5608 -0.5726000     1.122000  
1 1 1 35 12 4  o 2.1480  0.6618 -0.1820000     1.324000  
1 1 1 35 12 5  o 3.5690  0.7243 0.2997000      1.449000  
1 1 1 35 12 6  o 1.8080  0.5951 -0.4831000     1.190000  
1 1 1 35 12 7  o 2.2860  0.7031 0.4993000      1.406000  
1 1 1 35 12 8  o 2.0860  0.6678 0.3786000      1.336000  
1 1 1 35 12 9  o 1.9510  0.6400 0.2263000      1.280000  
1 1 1 35 12 10 o 1.6320  0.5541 0.3679000      1.108000  
1 1 1 35 12 11 o 2.0920  0.6334 1.114000       1.267000  
1 1 1 35 12 12 o 2.0700  0.6603 0.1421000      1.321000  
1 1 1 35 12 13 o 3.7330  0.6693 2.299000       1.339000  
1 1 1 35 12 14 o 2.7690  0.7135 -1.333000      1.427000  
1 1 1 35 12 15 o 2.4990  0.7390 -0.8042000     1.478000  
1 1 1 35 12 16 o 1.8760  0.6189 -0.5023000     1.238000  
1 1 1 35 12 17 o 3.1390  0.7968 0.2651000      1.594000  
1 1 1 35 12 18 o 4.1560  0.7628 -0.5972000     1.526000  
1 1 1 35 12 19 f 2.6060  0.6786 1.500000       1.357000  
1 1 1 35 12 20 o 4.3200  0.7318 -1.267000      1.464000  
1 1 1 35 13 0  o 1.2140  0.8481 0.000000       0.000000  
1 1 1 35 13 1  o 3.0400  0.7427 -0.4924000     1.485000  
1 1 1 35 13 2  f 2.8970  0.7614 0.1815000E-01  1.523000  
1 1 1 35 13 3  o 4.3190  0.6400 1.687000       1.280000  
1 1 1 35 13 4  o 4.6840  0.6129 1.396000       1.226000  
1 1 1 35 13 5  o 3.2110  0.7358 -0.2613000     1.472000  
1 1 1 35 13 6  o 2.4290  0.6747 -1.198000      1.349000  
1 1 1 35 13 7  o 2.1200  0.6606 -0.6444000     1.321000  
1 1 1 35 13 8  o 3.8870  0.7348 1.859000       1.470000  
1 1 1 35 13 9  o 2.4330  0.7083 -0.2188000     1.417000  
1 1 1 35 13 10 o 5.4610  0.5771 1.637000       1.154000  
1 1 1 35 13 11 o 1.9620  0.6426 -0.6045000     1.285000  
1 1 1 35 13 12 o 2.7150  0.7839 0.8062000      1.568000  
1 1 1 35 13 13 o 2.3660  0.6835 0.8720000      1.367000  
1 1 1 35 13 14 o 2.4770  0.7226 -1.288000      1.445000  
1 1 1 35 13 15 o 2.0440  0.6648 0.2368000E-01  1.330000  
1 1 1 35 13 16 o 2.1180  0.6892 0.8318000      1.378000  
1 1 1 35 13 17 o 2.9550  0.7522 -0.9543000     1.504000  
1 1 1 35 14 0  o 2.5360  1.2510 0.000000       0.000000  
1 1 1 35 14 1  o 2.1560  0.6634 0.4362000E-01  1.327000  
1 1 1 35 14 2  o 2.6930  0.7431 1.241000       1.486000  
1 1 1 35 14 3  o 3.3150  0.7647 -1.050000      1.529000  
1 1 1 35 14 4  o 2.3090  0.6835 0.2648000      1.367000  
1 1 1 35 14 5  o 3.0410  0.7281 0.6145000      1.456000  
1 1 1 35 14 6  o 3.1930  0.7125 -1.311000      1.425000  
1 1 1 35 14 7  o 2.9400  0.7404 -0.9750000     1.481000  
1 1 1 35 14 8  o 5.3120  0.6207 -0.4656000     1.241000  
1 1 1 35 14 9  o 3.8990  0.7182 -0.8780000     1.436000  
1 1 1 35 14 10 o 6.7660  0.5993 2.180000       1.199000  
1 1 1 35 14 11 o 2.1830  0.6841 0.4898000      1.368000  
1 1 1 35 14 12 o 2.7260  0.7807 0.4343000      1.561000  
1 1 1 35 14 13 o 4.3570  0.6493 2.388000       1.299000  
1 1 1 35 14 14 o 2.1910  0.6642 0.1895000      1.328000  
1 1 1 35 15 0  o 1.2850  0.8719 0.000000       0.000000  
1 1 1 35 15 1  o 2.2450  0.6457 0.6763000      1.291000  
1 1 1 35 15 2  o 4.1540  0.6105 0.6925000      1.221000  
1 1 1 35 15 3  o 4.5240  0.5963 1.619000       1.193000  
1 1 1 35 15 4  o 3.0820  0.7233 0.3998000      1.447000  
1 1 1 35 15 5  o 4.8230  0.6147 -1.790000      1.229000  
1 1 1 35 15 6  o 2.9480  0.7071 -0.9041000     1.414000  
1 1 1 35 15 7  o 2.9120  0.6680 2.687000       1.336000  
1 1 1 35 15 8  o 1.8620  0.6205 0.4221000      1.241000  
1 1 1 35 15 9  o 5.3980  0.6172 -0.2768000     1.234000  
1 1 1 35 15 10 o 3.3910  0.7959 0.6067000      1.592000  
1 1 1 36 0  0  o 2.3350  1.4520 0.000000       0.000000  
1 1 1 36 0  1  o 6.2680  0.6922 0.000000       0.000000  
1 1 1 36 0  2  o 3.2600  1.4320 0.000000       0.000000  
1 1 1 36 0  3  o 1.3450  0.9397 0.000000       0.000000  
1 1 1 36 0  5  o 2.1240  1.2670 0.000000       0.000000  
1 1 1 36 0  6  o 1.4520  0.9700 0.000000       0.000000  
1 1 1 36 0  7  o 2.0810  1.1800 0.000000       0.000000  
1 1 1 36 0  8  o 4.2260  1.0740 0.000000       0.000000  
1 1 1 36 0  9  o 1.7600  1.0930 0.000000       0.000000  
1 1 1 36 0  10 o 5.6850  0.7357 0.000000       0.000000  
1 1 1 36 0  11 o 2.5410  1.2760 0.000000       0.000000  
1 1 1 36 0  12 o 2.7240  1.2860 0.000000       0.000000  
1 1 1 36 0  13 o 4.4400  1.0610 0.000000       0.000000  
1 1 1 36 0  14 o 5.3600  0.8385 0.000000       0.000000  
1 1 1 36 0  15 o 3.0690  1.3040 0.000000       0.000000  
1 1 1 36 0  16 o 1.2210  0.8566 0.000000       0.000000  
1 1 1 36 0  17 o 1.8500  1.1340 0.000000       0.000000  
1 1 1 36 0  18 o 1.4540  1.0000 0.000000       0.000000  
1 1 1 36 0  19 o 1.7400  1.1010 0.000000       0.000000  
1 1 1 36 0  20 o 4.0460  1.3700 0.000000       0.000000  
1 1 1 36 0  21 o 2.1100  1.2080 0.000000       0.000000  
1 1 1 36 0  22 o 8.5420  0.5286 0.000000       0.000000  
1 1 1 36 0  23 o 1.2190  0.8574 0.000000       0.000000  
1 1 1 36 0  24 o 2.5220  1.2930 0.000000       0.000000  
1 1 1 36 0  25 o 1.6080  1.0430 0.000000       0.000000  
1 1 1 36 0  26 o 1.0540  0.7583 0.000000       0.000000  
1 1 1 36 1  0  o 2.5520  1.3740 0.000000       0.000000  
1 1 1 36 1  1  o 4.0550  0.7630 1.119000       1.526000  
1 1 1 36 1  2  o 2.2080  0.6588 -1.177000      1.318000  
1 1 1 36 1  3  o 3.8020  0.7820 0.6402000      1.564000  
1 1 1 36 1  4  o 2.9500  0.7609 1.098000       1.522000  
1 1 1 36 1  5  o 3.2940  0.6624 -2.147000      1.325000  
1 1 1 36 1  6  o 2.4660  0.6696 1.316000       1.339000  
1 1 1 36 1  7  o 2.7040  0.7254 0.3684000      1.451000  
1 1 1 36 1  8  o 1.8740  0.6125 -0.1289000     1.225000  
1 1 1 36 1  9  o 2.5030  0.7106 -0.2428000     1.421000  
1 1 1 36 1  10 o 6.2490  0.4833 1.165000       0.9666000 
1 1 1 36 1  11 o 3.3840  0.7432 0.7213000      1.486000  
1 1 1 36 1  12 o 5.0530  0.5969 -1.487000      1.194000  
1 1 1 36 1  13 o 2.2090  0.6771 -0.4441000E-01 1.354000  
1 1 1 36 1  14 o 2.2670  0.6874 0.6304000E-01  1.375000  
1 1 1 36 1  15 o 1.9270  0.6279 -0.1215000     1.256000  
1 1 1 36 1  16 o 2.5400  0.7402 0.2417000      1.480000  
1 1 1 36 1  17 o 3.0310  0.7141 1.480000       1.428000  
1 1 1 36 1  18 o 4.2580  0.7528 0.1216000      1.506000  
1 1 1 36 1  19 o 5.7460  0.5992 0.2111000E-01  1.198000  
1 1 1 36 1  20 o 4.7340  0.6582 1.569000       1.316000  
1 1 1 36 1  21 o 2.2760  0.7110 -0.8878000     1.422000  
1 1 1 36 1  22 o 2.1570  0.6667 0.7287000      1.333000  
1 1 1 36 1  23 o 3.8690  0.6911 -1.937000      1.382000  
1 1 1 36 1  24 o 2.5490  0.7270 0.2136000      1.454000  
1 1 1 36 1  25 o 3.8150  0.7215 1.271000       1.443000  
1 1 1 36 1  26 o 1.9620  0.6602 -0.3203000     1.320000  
1 1 1 36 2  0  o 1.4680  1.0040 0.000000       0.000000  
1 1 1 36 2  1  o 2.9160  0.8246 1.990000       1.649000  
1 1 1 36 2  2  o 3.1570  0.7050 -1.685000      1.410000  
1 1 1 36 2  3  o 2.7940  0.6930 -1.020000      1.386000  
1 1 1 36 2  4  o 1.9490  0.6261 0.5130000      1.252000  
1 1 1 36 2  5  o 3.5450  0.7354 -0.1616000     1.471000  
1 1 1 36 2  6  o 2.1400  0.6581 -0.6614000     1.316000  
1 1 1 36 2  7  o 6.1940  0.4770 0.3400000      0.9540000 
1 1 1 36 2  8  o 4.4560  0.6153 0.7278000      1.231000  
1 1 1 36 2  9  o 3.0770  0.7278 1.065000       1.456000  
1 1 1 36 2  10 o 5.4300  0.5548 -0.9985000     1.110000  
1 1 1 36 2  11 o 3.8320  0.7237 0.1596000E-01  1.447000  
1 1 1 36 2  12 o 2.1460  0.6517 -0.9575000     1.303000  
1 1 1 36 2  13 o 2.6580  0.7292 0.1561000      1.458000  
1 1 1 36 2  14 o 2.1060  0.6579 0.3867000      1.316000  
1 1 1 36 2  15 o 4.5320  0.7162 1.019000       1.432000  
1 1 1 36 2  16 o 2.8120  0.7722 0.5993000      1.544000  
1 1 1 36 2  17 o 2.4320  0.7288 -0.1219000     1.458000  
1 1 1 36 2  18 o 1.8720  0.6168 0.7355000E-01  1.234000  
1 1 1 36 2  19 o 2.1830  0.6752 -0.3959000     1.350000  
1 1 1 36 2  20 o 3.9060  0.7250 -0.5477000     1.450000  
1 1 1 36 2  21 o 2.5670  0.7359 -0.5735000     1.472000  
1 1 1 36 2  22 o 3.6010  0.7209 -1.485000      1.442000  
1 1 1 36 2  23 o 2.7690  0.7265 1.255000       1.453000  
1 1 1 36 2  24 o 2.0710  0.6570 -0.1723000     1.314000  
1 1 1 36 2  25 o 2.7250  0.7417 0.2389000      1.483000  
1 1 1 36 3  0  o 2.0670  1.3350 0.000000       0.000000  
1 1 1 36 3  1  o 2.4760  0.7488 0.5026000      1.498000  
1 1 1 36 3  2  o 6.1810  0.5414 -0.7186000     1.083000  
1 1 1 36 3  3  o 5.5410  0.6118 -1.438000      1.224000  
1 1 1 36 3  4  o 4.4860  0.6556 -1.315000      1.311000  
1 1 1 36 3  5  o 2.5390  0.7206 -0.2274000     1.441000  
1 1 1 36 3  6  o 2.6710  0.7121 -1.066000      1.424000  
1 1 1 36 3  7  o 2.9000  0.7341 -0.8528000     1.468000  
1 1 1 36 3  8  f 3.8420  0.7184 -0.4848000     1.437000  
1 1 1 36 3  9  o 2.6970  0.6812 1.480000       1.362000  
1 1 1 36 3  10 o 3.3040  0.7166 2.277000       1.433000  
1 1 1 36 3  11 o 3.4840  0.6699 -2.169000      1.340000  
1 1 1 36 3  12 o 4.0090  0.6976 0.5568000E-01  1.395000  
1 1 1 36 3  13 o 2.7290  0.7290 0.8847000      1.458000  
1 1 1 36 3  14 o 2.5210  0.7167 0.1845000      1.433000  
1 1 1 36 3  15 o 2.5800  0.7432 -0.2547000E-01 1.486000  
1 1 1 36 3  16 o 2.7440  0.7322 0.2429000      1.464000  
1 1 1 36 3  17 o 2.3570  0.6957 0.4092000      1.391000  
1 1 1 36 3  18 o 2.3720  0.7010 -0.3650000     1.402000  
1 1 1 36 3  19 o 4.3830  0.6911 -3.052000      1.382000  
1 1 1 36 3  20 o 2.9410  0.7477 0.2068000      1.495000  
1 1 1 36 3  21 o 2.4810  0.7006 0.8977000      1.401000  
1 1 1 36 3  22 o 2.7740  0.7370 -0.9279000     1.474000  
1 1 1 36 3  23 o 3.3560  0.8033 0.7843000E-01  1.607000  
1 1 1 36 3  24 o 2.8010  0.7527 0.8187000      1.505000  
1 1 1 36 3  25 o 2.8730  0.7799 -0.5397000     1.560000  
1 1 1 36 4  0  o 1.5550  1.0140 0.000000       0.000000  
1 1 1 36 4  1  o 2.7830  0.7599 0.6509000      1.520000  
1 1 1 36 4  2  o 2.3960  0.7348 -0.3044000     1.470000  
1 1 1 36 4  3  o 2.3230  0.7234 -0.2989000     1.447000  
1 1 1 36 4  4  o 2.4750  0.7303 0.2832000      1.461000  
1 1 1 36 4  5  o 3.5200  0.6367 -2.663000      1.273000  
1 1 1 36 4  6  o 3.6630  0.7377 1.350000       1.475000  
1 1 1 36 4  7  o 3.9860  0.7630 -0.9513000E-01 1.526000  
1 1 1 36 4  8  f 3.1280  0.7088 1.541000       1.418000  
1 1 1 36 4  9  o 6.3360  0.4390 1.066000       0.8780000 
1 1 1 36 4  10 o 5.1400  0.5755 -2.043000      1.151000  
1 1 1 36 4  11 o 3.4170  0.6861 1.514000       1.372000  
1 1 1 36 4  12 o 5.0430  0.6617 0.6834000      1.323000  
1 1 1 36 4  13 o 2.5900  0.7440 -0.9082000E-01 1.488000  
1 1 1 36 4  14 o 2.7410  0.7115 -1.289000      1.423000  
1 1 1 36 4  15 o 2.5120  0.7044 0.6823000      1.409000  
1 1 1 36 4  16 o 2.2150  0.6775 -0.1972000     1.355000  
1 1 1 36 4  17 o 2.7750  0.7363 0.2536000      1.473000  
1 1 1 36 4  18 o 2.5600  0.6798 1.493000       1.360000  
1 1 1 36 4  19 o 6.3720  0.4827 1.592000       0.9654000 
1 1 1 36 4  20 o 2.7760  0.7120 1.229000       1.424000  
1 1 1 36 4  21 o 2.0220  0.6439 0.3351000      1.288000  
1 1 1 36 4  22 o 2.8650  0.7444 0.4516000      1.489000  
1 1 1 36 4  23 o 2.6890  0.7369 0.3511000      1.474000  
1 1 1 36 4  24 o 2.8060  0.8371 1.441000       1.674000  
1 1 1 36 5  0  o 3.7870  1.1870 0.000000       0.000000  
1 1 1 36 5  1  o 5.9810  0.4941 -0.4353000     0.9882000 
1 1 1 36 5  2  o 3.7740  0.7319 -1.440000      1.464000  
1 1 1 36 5  3  o 2.1360  0.6768 0.5675000      1.354000  
1 1 1 36 5  4  o 2.8810  0.7717 0.5403000      1.543000  
1 1 1 36 5  5  o 3.8800  0.7251 1.696000       1.450000  
1 1 1 36 5  6  o 6.2250  0.4678 0.1231000      0.9355000 
1 1 1 36 5  7  o 3.9680  0.7332 1.212000       1.466000  
1 1 1 36 5  8  o 3.6450  0.7749 0.1420000      1.550000  
1 1 1 36 5  9  o 2.5670  0.7121 0.9643000      1.424000  
1 1 1 36 5  10 o 2.0070  0.6453 0.4008000      1.291000  
1 1 1 36 5  11 o 2.5440  0.6859 -1.159000      1.372000  
1 1 1 36 5  12 o 2.9010  0.7157 1.934000       1.431000  
1 1 1 36 5  13 o 2.2120  0.6412 1.286000       1.282000  
1 1 1 36 5  14 o 2.8550  0.6242 2.451000       1.248000  
1 1 1 36 5  15 o 3.6160  0.7353 -0.2738000     1.471000  
1 1 1 36 5  16 o 3.6050  0.7045 1.490000       1.409000  
1 1 1 36 5  17 o 3.6410  0.7376 0.1235000      1.475000  
1 1 1 36 5  18 o 2.6760  0.7317 -0.1020000     1.463000  
1 1 1 36 5  19 o 4.4030  0.6649 -0.3477000     1.330000  
1 1 1 36 5  20 o 3.5170  0.7411 0.4565000      1.482000  
1 1 1 36 5  21 o 2.1500  0.6691 0.2330000E-01  1.338000  
1 1 1 36 5  22 o 3.1440  0.7486 0.6530000      1.497000  
1 1 1 36 5  23 o 3.1910  0.7874 1.199000       1.575000  
1 1 1 36 5  24 o 5.2780  0.5893 -0.9043000     1.179000  
1 1 1 36 6  0  o 1.6480  1.0520 0.000000       0.000000  
1 1 1 36 6  1  o 4.5870  0.6396 0.4531000      1.279000  
1 1 1 36 6  2  o 2.8040  0.7133 -1.080000      1.427000  
1 1 1 36 6  3  o 3.1600  0.7689 1.235000       1.538000  
1 1 1 36 6  4  o 3.0740  0.7624 1.246000       1.525000  
1 1 1 36 6  5  o 1.9990  0.6507 0.3336000      1.301000  
1 1 1 36 6  6  f 1.9300  0.6178 0.6749000      1.236000  
1 1 1 36 6  7  o 2.2680  0.6645 1.187000       1.329000  
1 1 1 36 6  8  o 3.2770  0.6789 1.999000       1.358000  
1 1 1 36 6  9  o 5.5040  0.7254 -0.8881000E-01 1.451000  
1 1 1 36 6  10 o 2.0850  0.6598 -0.4114000     1.320000  
1 1 1 36 6  11 o 3.9180  0.7039 1.056000       1.408000  
1 1 1 36 6  12 o 2.1920  0.6695 0.4493000      1.339000  
1 1 1 36 6  13 o 5.8370  0.5235 1.558000       1.047000  
1 1 1 36 6  14 f 6.6200  0.4437 -0.5349000     0.8873000 
1 1 1 36 6  15 o 2.6130  0.7400 -1.115000      1.480000  
1 1 1 36 6  16 o 1.8650  0.8628 ?              ?         
1 1 1 36 6  17 o 5.4910  0.6587 2.557000       1.317000  
1 1 1 36 6  18 f 4.0990  0.7139 0.1002000      1.428000  
1 1 1 36 6  19 o 4.2870  0.6883 -0.1094000     1.377000  
1 1 1 36 6  20 o 2.4990  0.7186 -0.1803000     1.437000  
1 1 1 36 6  21 o 2.6720  0.7696 0.5244000      1.539000  
1 1 1 36 6  22 o 2.4170  0.6945 -1.157000      1.389000  
1 1 1 36 6  23 o 3.5760  0.6750 2.234000       1.350000  
1 1 1 36 7  0  o 3.5100  1.2440 0.000000       0.000000  
1 1 1 36 7  1  o 3.7660  0.7007 1.442000       1.401000  
1 1 1 36 7  2  f 2.6990  0.7198 -0.6440000     1.440000  
1 1 1 36 7  3  o 4.0700  0.7325 -1.043000      1.465000  
1 1 1 36 7  4  o 3.0020  0.7492 -0.8654000     1.498000  
1 1 1 36 7  5  o 2.4940  0.7327 0.9370000E-01  1.465000  
1 1 1 36 7  6  o 2.2940  0.6820 0.6379000      1.364000  
1 1 1 36 7  7  o 1.7570  0.5878 -0.3297000     1.176000  
1 1 1 36 7  8  o 3.9760  0.6931 -3.019000      1.386000  
1 1 1 36 7  9  o 2.0610  0.6754 0.2429000      1.351000  
1 1 1 36 7  10 o 1.9690  0.6351 0.1787000      1.270000  
1 1 1 36 7  11 o 3.0880  0.7207 -0.1739000     1.441000  
1 1 1 36 7  12 o 5.1450  0.5365 -0.9598000E-01 1.073000  
1 1 1 36 7  13 o 4.4400  0.6168 0.6451000      1.234000  
1 1 1 36 7  14 o 2.2520  0.6689 0.6113000      1.338000  
1 1 1 36 7  15 o 2.7640  0.7134 0.9890000      1.427000  
1 1 1 36 7  16 f 2.8120  0.6832 1.540000       1.366000  
1 1 1 36 7  17 o 3.0680  0.7815 0.2865000      1.563000  
1 1 1 36 7  18 o 2.5800  0.7476 -0.7425000     1.495000  
1 1 1 36 7  19 o 2.7460  0.7535 0.5833000      1.507000  
1 1 1 36 7  20 o 3.9840  0.7829 2.204000       1.566000  
1 1 1 36 7  21 o 3.0600  0.7974 -0.6522000     1.595000  
1 1 1 36 7  22 o 3.0770  0.7952 -0.6306000     1.590000  
1 1 1 36 8  0  o 1.5760  1.0250 0.000000       0.000000  
1 1 1 36 8  1  o 4.1960  0.6499 2.401000       1.300000  
1 1 1 36 8  2  o 3.2280  0.7366 -0.4901000     1.473000  
1 1 1 36 8  3  o 1.7560  0.5806 0.8651000      1.161000  
1 1 1 36 8  4  o 1.8750  0.6169 -0.4123000     1.234000  
1 1 1 36 8  5  o 2.7200  0.6965 -1.553000      1.393000  
1 1 1 36 8  6  o 5.6990  0.5695 0.2472000      1.139000  
1 1 1 36 8  7  o 2.9250  0.7634 -0.5389000     1.527000  
1 1 1 36 8  8  o 2.8320  0.7651 0.4808000      1.530000  
1 1 1 36 8  9  o 3.2970  0.7335 1.479000       1.467000  
1 1 1 36 8  10 o 2.9060  0.6473 2.246000       1.295000  
1 1 1 36 8  11 o 2.2450  0.6784 0.2999000      1.357000  
1 1 1 36 8  12 f 2.4310  0.7053 -0.1059000     1.411000  
1 1 1 36 8  13 o 2.2500  0.6687 0.3154000      1.337000  
1 1 1 36 8  14 f 3.2580  0.7044 1.007000       1.409000  
1 1 1 36 8  15 o 1.7890  0.5881 0.2163000      1.176000  
1 1 1 36 8  16 o 2.2080  0.6570 0.7933000      1.314000  
1 1 1 36 8  17 o 2.0470  0.6383 0.2827000      1.277000  
1 1 1 36 8  18 o 3.1060  0.7943 0.3602000E-01  1.589000  
1 1 1 36 8  19 o 2.6670  0.7382 0.2061000      1.476000  
1 1 1 36 8  20 o 2.3160  0.6958 -0.6068000     1.392000  
1 1 1 36 8  21 o 2.5430  1.1460 ?              ?         
1 1 1 36 9  0  o 3.2670  1.2550 0.000000       0.000000  
1 1 1 36 9  1  o 2.6970  0.7233 0.5823000      1.447000  
1 1 1 36 9  2  o 2.8120  0.7373 -0.1309000     1.475000  
1 1 1 36 9  3  o 2.6780  0.6780 1.650000       1.356000  
1 1 1 36 9  4  o 2.9020  0.7289 -1.255000      1.458000  
1 1 1 36 9  5  o 4.1720  0.7165 -1.780000      1.433000  
1 1 1 36 9  6  o 3.4150  0.8513 1.032000       1.703000  
1 1 1 36 9  7  o 2.9220  0.7097 1.452000       1.419000  
1 1 1 36 9  8  o 4.2120  0.7431 -0.9176000     1.486000  
1 1 1 36 9  9  o 2.3670  0.7180 -0.9835000E-02 1.436000  
1 1 1 36 9  10 o 2.3330  0.7132 -0.2368000     1.426000  
1 1 1 36 9  11 o 4.4890  0.6505 1.408000       1.301000  
1 1 1 36 9  12 o 2.6610  0.7119 0.8154000      1.424000  
1 1 1 36 9  13 f 3.3060  0.7443 0.5275000E-01  1.489000  
1 1 1 36 9  14 o 2.4180  0.6967 0.6356000      1.393000  
1 1 1 36 9  15 o 2.3020  0.6752 -0.2473000     1.350000  
1 1 1 36 9  16 o 3.6500  0.7065 0.4451000E-02  1.413000  
1 1 1 36 9  17 o 2.3500  0.7160 0.6551000      1.432000  
1 1 1 36 9  18 o 2.7930  0.7172 0.6122000      1.434000  
1 1 1 36 9  19 o 2.6330  0.7288 -0.4565000     1.458000  
1 1 1 36 10 0  o 1.9440  1.1560 0.000000       0.000000  
1 1 1 36 10 1  o 3.4980  0.7312 -0.7857000     1.462000  
1 1 1 36 10 2  o 2.8930  0.7415 0.1539000E-01  1.483000  
1 1 1 36 10 3  o 1.8070  0.5987 -0.2140000     1.197000  
1 1 1 36 10 4  o 2.1630  0.7024 0.1879000      1.405000  
1 1 1 36 10 5  o 2.9980  0.7568 -0.9236000     1.514000  
1 1 1 36 10 6  o 7.1520  0.4826 -0.9221000     0.9652000 
1 1 1 36 10 7  o 2.5720  0.7153 0.7242000      1.431000  
1 1 1 36 10 8  o 2.7660  0.7612 0.7565000E-01  1.522000  
1 1 1 36 10 9  o 3.6360  0.6661 2.574000       1.332000  
1 1 1 36 10 10 o 4.6420  0.6991 0.5853000      1.398000  
1 1 1 36 10 11 o 4.0380  0.6982 0.2837000      1.396000  
1 1 1 36 10 12 o 3.0900  0.7448 0.5953000      1.490000  
1 1 1 36 10 13 o 3.8180  0.6991 1.594000       1.398000  
1 1 1 36 10 14 o 5.1350  0.5938 0.6311000      1.188000  
1 1 1 36 10 15 o 3.2180  0.8030 0.1328000      1.606000  
1 1 1 36 10 16 o 3.6910  0.6807 2.147000       1.361000  
1 1 1 36 10 17 o 2.6440  0.7462 0.5888000      1.492000  
1 1 1 36 11 0  o 1.0860  0.7770 0.000000       0.000000  
1 1 1 36 11 1  o 2.6860  0.7279 -0.3892000     1.456000  
1 1 1 36 11 2  o 2.3750  0.6718 1.260000       1.344000  
1 1 1 36 11 3  o 1.9080  0.6197 -0.6153000     1.239000  
1 1 1 36 11 4  o 2.7270  0.7552 0.8283000      1.510000  
1 1 1 36 11 5  o 5.2460  0.6409 -1.145000      1.282000  
1 1 1 36 11 6  o 3.5590  0.7215 2.336000       1.443000  
1 1 1 36 11 7  o 4.8380  0.6058 0.3778000      1.212000  
1 1 1 36 11 8  o 3.1740  0.7696 -1.141000      1.539000  
1 1 1 36 11 9  o 2.6820  0.7047 1.379000       1.409000  
1 1 1 36 11 10 o 5.3150  0.5917 2.006000       1.183000  
1 1 1 36 11 11 o 1.8710  0.6142 0.8657000E-01  1.228000  
1 1 1 36 11 12 o 2.8760  0.7459 0.4999000E-01  1.492000  
1 1 1 36 11 13 o 6.6530  0.4600 -0.2125000E-01 0.9200000 
1 1 1 36 11 14 o 3.2350  0.8094 0.7534000      1.619000  
1 1 1 36 11 15 f 5.4450  0.6633 1.803000       1.327000  
1 1 1 36 12 0  o 3.3010  1.2730 0.000000       0.000000  
1 1 1 36 12 1  o 3.8760  0.7517 -0.8737000     1.503000  
1 1 1 36 12 2  o 3.3350  0.7447 -0.1523000     1.489000  
1 1 1 36 12 3  o 3.0520  0.6876 -1.802000      1.375000  
1 1 1 36 12 4  o 2.0580  0.6652 0.2710000      1.330000  
1 1 1 36 12 5  o 2.7500  0.7580 -0.1956000E-01 1.516000  
1 1 1 36 12 6  o 2.9060  0.7071 -1.525000      1.414000  
1 1 1 36 12 7  o 1.6040  0.5502 -0.2350000     1.100000  
1 1 1 36 12 8  o 4.5180  0.7061 0.1717000      1.412000  
1 1 1 36 12 9  o 1.9520  0.6411 0.4712000E-01  1.282000  
1 1 1 36 12 10 o 2.5170  0.7214 0.8458000E-01  1.443000  
1 1 1 36 12 11 o 3.7720  0.7330 0.4357000      1.466000  
1 1 1 36 13 0  o 2.3430  1.3150 0.000000       0.000000  
1 1 1 36 13 1  o 1.8290  0.6051 -0.3531000     1.210000  
1 1 1 36 13 2  o 3.1700  0.7125 -1.506000      1.425000  
1 1 1 36 13 3  o 2.7170  0.7383 0.2096000E-02  1.477000  
1 1 1 36 13 4  o 4.1750  0.7432 0.8311000      1.486000  
1 1 1 36 13 5  o 2.4270  0.6933 1.667000       1.387000  
1 1 1 36 13 6  f 2.5030  0.7385 0.2942000      1.477000  
1 1 1 36 13 7  o 2.1380  0.6940 -0.4417000     1.388000  
1 1 1 37 0  1  o 1.4350  0.9639 0.000000       0.000000  
1 1 1 37 0  2  o 1.7090  1.0780 0.000000       0.000000  
1 1 1 37 0  3  o 5.6350  0.7762 0.000000       0.000000  
1 1 1 37 0  4  o 4.8480  0.9501 0.000000       0.000000  
1 1 1 37 0  5  o 1.6080  1.0430 0.000000       0.000000  
1 1 1 37 0  6  o 1.8630  1.1290 0.000000       0.000000  
1 1 1 37 0  7  o 1.5650  1.0240 0.000000       0.000000  
1 1 1 37 0  8  o 2.9890  1.3050 0.000000       0.000000  
1 1 1 37 0  9  o 3.5860  1.2510 0.000000       0.000000  
1 1 1 37 0  10 o 4.9570  0.9398 0.000000       0.000000  
1 1 1 37 0  11 o 1.9910  1.1760 0.000000       0.000000  
1 1 1 37 0  12 o 2.0580  1.1880 0.000000       0.000000  
1 1 1 37 0  13 o 1.3780  0.9386 0.000000       0.000000  
1 1 1 37 0  14 o 4.7610  0.9789 0.000000       0.000000  
1 1 1 37 0  15 o 3.4580  1.2770 0.000000       0.000000  
1 1 1 37 0  16 o 6.8800  0.6358 0.000000       0.000000  
1 1 1 37 0  17 o 1.7710  1.1110 0.000000       0.000000  
1 1 1 37 0  18 o 3.2520  1.3230 0.000000       0.000000  
1 1 1 37 0  19 o 1.6240  1.0930 0.000000       0.000000  
1 1 1 37 0  20 o 1.9580  1.1840 0.000000       0.000000  
1 1 1 37 1  0  o 2.4140  1.2520 0.000000       0.000000  
1 1 1 37 1  1  o 3.0330  0.7364 0.7289000      1.473000  
1 1 1 37 1  2  o 2.5340  0.6493 1.433000       1.299000  
1 1 1 37 1  3  o 2.0080  0.6442 -0.1603000     1.288000  
1 1 1 37 1  4  o 2.0700  0.6551 0.6665000      1.310000  
1 1 1 37 1  5  o 3.7730  0.7502 1.070000       1.500000  
1 1 1 37 1  6  f 2.3330  0.6885 -0.7495000     1.377000  
1 1 1 37 1  7  o 2.0310  0.6434 0.5714000      1.287000  
1 1 1 37 1  8  o 3.1140  0.7534 0.2426000E-01  1.507000  
1 1 1 37 1  9  o 5.2660  0.6029 2.103000       1.206000  
1 1 1 37 1  10 o 9.1090  0.3558 0.9141000      0.7116000 
1 1 1 37 1  11 o 2.7810  0.7464 0.5105000E-01  1.493000  
1 1 1 37 1  12 o 3.3110  0.7538 0.2112000      1.508000  
1 1 1 37 1  13 o 4.6150  0.6520 0.1616000      1.304000  
1 1 1 37 1  14 o 3.2270  0.6979 1.836000       1.396000  
1 1 1 37 1  15 o 2.1990  0.6777 0.4082000      1.355000  
1 1 1 37 1  16 o 3.1260  0.7630 0.3998000      1.526000  
1 1 1 37 1  17 o 3.5290  0.6701 2.525000       1.340000  
1 1 1 37 1  18 o 2.4370  0.7411 -0.3591000     1.482000  
1 1 1 37 1  19 o 3.5310  0.8107 0.4232000E-01  1.621000  
1 1 1 37 1  20 o 1.9710  0.9069 ?              ?         
1 1 1 37 2  0  o 1.0580  0.7597 0.000000       0.000000  
1 1 1 37 2  1  o 3.9340  0.7026 -1.300000      1.405000  
1 1 1 37 2  2  o 2.7140  0.7118 -1.308000      1.424000  
1 1 1 37 2  3  o 2.2280  0.6645 1.103000       1.329000  
1 1 1 37 2  4  o 2.4690  0.7165 -1.435000      1.433000  
1 1 1 37 2  5  o 1.9330  0.6408 -0.1421000     1.282000  
1 1 1 37 2  6  o 3.8720  0.7494 1.239000       1.499000  
1 1 1 37 2  7  o 3.5830  0.7224 1.237000       1.445000  
1 1 1 37 2  8  o 3.5630  0.7896 -1.089000      1.579000  
1 1 1 37 2  9  o 2.5520  0.7187 -0.6248000     1.437000  
1 1 1 37 2  10 o 3.4630  0.7123 -1.655000      1.425000  
1 1 1 37 2  11 o 3.7440  0.7453 0.2636000      1.491000  
1 1 1 37 2  12 o 5.3940  0.5670 0.6956000      1.134000  
1 1 1 37 2  13 o 1.9690  0.6332 0.5066000      1.266000  
1 1 1 37 2  14 o 2.6130  0.7255 -0.5842000     1.451000  
1 1 1 37 2  15 o 2.3850  0.7033 -0.4452000     1.407000  
1 1 1 37 2  16 o 2.6140  0.7614 -0.2103000     1.523000  
1 1 1 37 2  17 o 4.4920  0.6856 -1.068000      1.371000  
1 1 1 37 2  18 o 4.1350  0.7831 0.4040000      1.566000  
1 1 1 37 2  19 o 2.7150  0.7332 -0.9224000     1.466000  
1 1 1 37 3  0  o 1.9260  1.1610 0.000000       0.000000  
1 1 1 37 3  1  o 3.0520  0.7678 0.9436000      1.536000  
1 1 1 37 3  2  o 3.0780  0.7868 -0.2341000     1.574000  
1 1 1 37 3  3  o 3.6380  0.7258 1.820000       1.452000  
1 1 1 37 3  4  o 2.2720  0.6720 -1.120000      1.344000  
1 1 1 37 3  5  o 2.5100  0.7040 0.8362000E-01  1.408000  
1 1 1 37 3  6  o 2.3490  0.6929 0.5360000      1.386000  
1 1 1 37 3  7  o 2.1020  0.6555 0.4787000      1.311000  
1 1 1 37 3  8  o 4.0960  0.6811 -1.612000      1.362000  
1 1 1 37 3  9  o 4.8760  0.6090 0.7353000      1.218000  
1 1 1 37 3  10 o 2.6770  0.7015 1.449000       1.403000  
1 1 1 37 3  11 o 4.2740  0.7466 -0.6449000     1.493000  
1 1 1 37 3  12 o 4.7970  0.6513 1.704000       1.303000  
1 1 1 37 3  13 o 3.9950  0.7268 0.3880000E-02  1.454000  
1 1 1 37 3  14 o 4.9500  0.6381 1.040000       1.276000  
1 1 1 37 3  15 o 6.6990  0.5142 -1.529000      1.028000  
1 1 1 37 3  16 o 2.8890  0.7624 1.375000       1.525000  
1 1 1 37 3  17 o 3.7220  0.6245 -3.201000      1.249000  
1 1 1 37 3  18 o 5.1050  0.5991 -0.8333000     1.198000  
1 1 1 37 3  19 o 2.0810  0.6603 -0.1184000     1.321000  
1 1 1 37 4  0  o 2.7660  1.3180 0.000000       0.000000  
1 1 1 37 4  1  o 3.7090  0.7225 1.988000       1.445000  
1 1 1 37 4  2  o 3.2700  0.7543 1.733000       1.509000  
1 1 1 37 4  3  o 2.5320  0.8007 -1.204000      1.601000  
1 1 1 37 4  4  o 2.4420  0.6922 -1.101000      1.384000  
1 1 1 37 4  5  o 2.9520  0.7211 -0.5111000     1.442000  
1 1 1 37 4  6  o 4.3550  0.6346 1.196000       1.269000  
1 1 1 37 4  7  o 5.8550  0.4801 -0.1926000     0.9602000 
1 1 1 37 4  8  o 1.6660  0.5619 0.8811000E-01  1.124000  
1 1 1 37 4  9  o 2.3500  0.6894 -0.6423000     1.379000  
1 1 1 37 4  10 o 2.7330  0.7220 0.7555000      1.444000  
1 1 1 37 4  11 o 1.7090  0.5766 0.1975000      1.153000  
1 1 1 37 4  12 o 2.3820  0.7294 -0.2913000     1.459000  
1 1 1 37 4  13 o 5.2090  0.7409 -4.283000      1.482000  
1 1 1 37 4  14 o 2.4920  0.7453 -0.2464000     1.491000  
1 1 1 37 4  15 o 3.6630  0.8325 -0.3392000     1.665000  
1 1 1 37 4  16 o 2.5100  0.7471 -0.3302000     1.494000  
1 1 1 37 4  17 o 1.8280  0.6075 -0.2192000     1.215000  
1 1 1 37 4  18 o 2.9640  0.7429 -0.8164000     1.486000  
1 1 1 37 5  0  o 1.8070  1.1610 0.000000       0.000000  
1 1 1 37 5  1  o 2.9690  0.7177 1.660000       1.435000  
1 1 1 37 5  2  o 3.7780  0.7201 -2.780000      1.440000  
1 1 1 37 5  3  o 6.7400  0.5673 2.098000       1.135000  
1 1 1 37 5  4  o 6.9680  0.5094 0.4860000      1.019000  
1 1 1 37 5  5  o 2.9670  0.6919 1.970000       1.384000  
1 1 1 37 5  6  o 3.0420  0.7626 -0.2404000     1.525000  
1 1 1 37 5  7  o 4.9570  0.5756 -0.8609000     1.151000  
1 1 1 37 5  8  o 3.0410  0.7096 -0.7042000     1.419000  
1 1 1 37 5  9  o 4.4660  0.6171 1.852000       1.234000  
1 1 1 37 5  10 o 2.1480  0.6459 -0.5943000     1.292000  
1 1 1 37 5  11 o 3.0500  0.7473 -0.5698000     1.495000  
1 1 1 37 5  12 o 3.3800  0.7591 0.1429000      1.518000  
1 1 1 37 5  13 o 3.8900  0.6178 -3.613000      1.236000  
1 1 1 37 5  14 f 2.1310  0.6826 -0.7945000     1.365000  
1 1 1 37 5  15 o 2.9280  0.7869 -0.4282000     1.574000  
1 1 1 37 5  16 o 2.3340  0.7222 -0.1907000     1.444000  
1 1 1 37 5  17 o 3.5190  0.7240 1.868000       1.448000  
1 1 1 37 6  0  f 5.9100  0.9209 0.000000       0.000000  
1 1 1 37 6  1  o 3.3910  0.8334 -0.2645000     1.667000  
1 1 1 37 6  2  o 2.0220  0.6470 0.3516000      1.294000  
1 1 1 37 6  3  o 2.1940  0.6743 0.7605000      1.349000  
1 1 1 37 6  4  o 2.2490  0.7052 -0.6769000     1.410000  
1 1 1 37 6  5  o 4.3420  0.7414 -0.9738000     1.483000  
1 1 1 37 6  6  o 2.1730  0.6533 1.100000       1.307000  
1 1 1 37 6  7  f 1.9490  0.6311 -0.4168000     1.262000  
1 1 1 37 6  8  o 2.4160  0.6818 1.198000       1.364000  
1 1 1 37 6  9  o 4.4780  0.6301 -0.4352000     1.260000  
1 1 1 37 6  10 o 5.2380  0.5869 1.428000       1.174000  
1 1 1 37 6  11 o 2.0930  0.6541 0.2878000      1.308000  
1 1 1 37 6  12 o 3.2880  0.7468 -0.6369000     1.494000  
1 1 1 37 6  13 o 2.8240  0.7150 0.9380000      1.430000  
1 1 1 37 6  14 o 1.8900  0.6086 0.7834000      1.217000  
1 1 1 37 6  15 o 1.9510  0.6336 -0.1528000E-01 1.267000  
1 1 1 37 6  16 o 2.0650  0.6558 0.2123000      1.312000  
1 1 1 37 7  0  o 1.4310  0.9906 0.000000       0.000000  
1 1 1 37 7  1  o 2.0910  0.6816 -0.5080000     1.363000  
1 1 1 37 7  2  o 2.5870  0.7509 0.4578000      1.502000  
1 1 1 37 7  3  o 3.0640  0.7416 -0.7520000     1.483000  
1 1 1 37 7  4  o 4.4050  0.7184 1.678000       1.437000  
1 1 1 37 7  5  o 2.7910  0.7354 1.154000       1.471000  
1 1 1 37 7  6  o 2.4900  0.7269 -1.214000      1.454000  
1 1 1 37 7  7  o 2.3220  0.6755 -1.022000      1.351000  
1 1 1 37 7  8  o 2.3880  0.7006 -0.4441000     1.401000  
1 1 1 37 7  9  o 6.1530  0.4954 -0.3657000     0.9908000 
1 1 1 37 7  10 o 1.6790  0.5751 -0.1988000     1.150000  
1 1 1 37 7  11 o 2.6640  0.7182 0.1375000      1.436000  
1 1 1 37 7  12 o 2.6080  0.7036 -0.4846000     1.407000  
1 1 1 37 7  13 o 4.1980  0.6553 -0.5019000     1.311000  
1 1 1 37 7  14 o 2.2850  0.6791 0.3007000      1.358000  
1 1 1 37 7  15 o 2.1620  1.0310 ?              ?         
1 1 1 37 8  0  o 2.5220  1.3650 0.000000       0.000000  
1 1 1 37 8  1  o 1.9710  0.6434 -0.2583000     1.287000  
1 1 1 37 8  2  o 3.6380  0.7546 1.888000       1.509000  
1 1 1 37 8  3  o 2.0220  0.6401 -0.5726000     1.280000  
1 1 1 37 8  4  f 1.8400  0.6198 -0.3194000     1.240000  
1 1 1 37 8  5  o 2.6520  0.7466 0.5431000      1.493000  
1 1 1 37 8  6  o 4.3120  0.6854 2.812000       1.371000  
1 1 1 37 8  7  o 3.6350  0.7004 2.004000       1.401000  
1 1 1 37 8  8  o 2.9450  0.7771 -0.3159000     1.554000  
1 1 1 37 8  9  o 2.6150  0.7574 0.2386000      1.515000  
1 1 1 37 8  10 o 2.6810  0.7353 0.4307000      1.471000  
1 1 1 37 8  11 o 2.1530  0.6703 -0.1377000     1.341000  
1 1 1 37 8  12 o 2.5500  0.7269 -0.2106000     1.454000  
1 1 1 37 8  13 o 2.1900  1.0450 ?              ?         
1 1 1 37 9  0  o 1.4730  1.0120 0.000000       0.000000  
1 1 1 37 9  1  o 2.6030  0.7514 0.1341000E-01  1.503000  
1 1 1 37 9  2  o 6.1190  0.5455 -0.4862000     1.091000  
1 1 1 37 9  3  o 2.5450  0.6904 -1.244000      1.381000  
1 1 1 37 9  4  o 2.0460  0.6477 0.7684000      1.295000  
1 1 1 37 9  5  o 2.7150  0.7584 -0.7992000     1.517000  
1 1 1 37 9  6  o 2.8460  0.6964 1.852000       1.393000  
1 1 1 37 9  7  o 3.2230  0.7264 -1.791000      1.453000  
1 1 1 37 9  8  o 2.8790  0.7438 -0.6844000     1.488000  
1 1 1 37 9  9  o 4.7060  0.6415 0.1926000      1.283000  
1 1 1 37 9  10 o 2.3950  0.7080 0.2356000      1.416000  
1 1 1 37 10 0  o 1.7950  1.1180 0.000000       0.000000  
1 1 1 37 10 1  o 2.3580  0.7155 0.9797000      1.431000  
1 1 1 37 10 2  o 2.3220  0.7132 -0.8040000E-01 1.426000  
1 1 1 37 10 3  o 3.0560  0.7403 -0.9211000     1.481000  
1 1 1 37 10 4  o 2.1500  0.6713 0.4397000      1.343000  
1 1 1 37 10 5  o 2.6110  0.7748 -0.7954000E-01 1.550000  
1 1 1 37 10 6  o 1.9860  0.9668 ?              ?         
1 1 1 38 0  0  o 1.5220  1.0430 0.000000       0.000000  
1 1 1 38 0  1  o 4.1440  1.0040 0.000000       0.000000  
1 1 1 38 0  2  o 4.4850  0.9015 0.000000       0.000000  
1 1 1 38 0  3  o 1.6670  1.0370 0.000000       0.000000  
1 1 1 38 0  4  o 1.8990  1.1570 0.000000       0.000000  
1 1 1 38 0  5  o 1.8260  1.1370 0.000000       0.000000  
1 1 1 38 0  6  f 2.0410  1.2590 0.000000       0.000000  
1 1 1 38 0  7  o 4.1280  1.3530 0.000000       0.000000  
1 1 1 38 0  8  o 1.2250  0.8760 0.000000       0.000000  
1 1 1 38 0  9  o 1.5030  1.0310 0.000000       0.000000  
1 1 1 38 0  10 o 1.3230  0.9165 0.000000       0.000000  
1 1 1 38 0  11 o 1.2380  0.8690 0.000000       0.000000  
1 1 1 38 1  0  o 1.5050  0.9749 0.000000       0.000000  
1 1 1 38 1  1  o 3.9630  0.6105 3.290000       1.221000  
1 1 1 38 1  2  o 3.1200  0.7319 0.9358000      1.464000  
1 1 1 38 1  3  f 3.4140  0.7345 0.3150000      1.469000  
1 1 1 38 1  4  o 2.8930  0.7628 -0.1270000     1.526000  
1 1 1 38 1  5  o 5.1270  0.6408 -0.1293000     1.282000  
1 1 1 38 1  6  o 2.3460  0.7254 0.5169000      1.451000  
1 1 1 38 1  7  o 5.5350  0.6444 1.594000       1.289000  
1 1 1 38 1  8  o 4.1400  0.7403 1.638000       1.481000  
1 1 1 38 1  9  o 5.3670  0.6590 1.159000       1.318000  
1 1 1 38 1  10 f 4.3470  0.7526 -0.8375000     1.505000  
1 1 1 38 1  11 o 2.1270  0.7206 -0.2434000     1.441000  
1 1 1 38 2  0  f 2.1040  1.2090 0.000000       0.000000  
1 1 1 38 2  1  o 4.5020  0.6307 0.6328000      1.261000  
1 1 1 38 2  2  o 5.2130  0.6600 -2.200000      1.320000  
1 1 1 38 2  3  o 3.4890  0.6503 -2.413000      1.301000  
1 1 1 38 2  4  o 1.8030  0.6058 0.2323000      1.212000  
1 1 1 38 2  5  o 2.7940  0.7329 -0.7125000     1.466000  
1 1 1 38 2  6  o 2.6880  0.7032 -0.7555000     1.406000  
1 1 1 38 2  7  o 1.7970  0.5896 -0.4175000     1.179000  
1 1 1 38 2  8  o 2.8200  0.7487 0.1654000      1.497000  
1 1 1 38 2  9  o 1.7030  0.5761 0.4924000      1.152000  
1 1 1 38 2  10 o 2.8330  0.7789 0.4318000E-01  1.558000  
1 1 1 38 3  0  o 3.6340  1.2640 0.000000       0.000000  
1 1 1 38 3  1  o 3.5170  0.7592 -1.371000      1.518000  
1 1 1 38 3  2  o 2.7040  0.7008 -1.578000      1.402000  
1 1 1 38 3  3  o 2.5130  0.7103 -0.5030000     1.421000  
1 1 1 38 3  4  o 2.4350  0.7232 0.1274000      1.446000  
1 1 1 38 3  5  o 1.9850  0.6100 1.404000       1.220000  
1 1 1 38 3  6  o 2.8440  0.7332 -1.004000      1.466000  
1 1 1 38 3  7  o 2.8370  0.7288 -1.009000      1.458000  
1 1 1 38 3  8  o 2.3100  0.6726 1.175000       1.345000  
1 1 1 38 3  9  o 3.0150  0.7620 0.7370000E-01  1.524000  
1 1 1 38 4  0  o 1.5730  1.0650 0.000000       0.000000  
1 1 1 38 4  1  o 3.3020  0.7925 -0.8010000     1.585000  
1 1 1 38 4  2  o 3.5130  0.7916 1.617000       1.583000  
1 1 1 38 4  3  o 1.8790  0.6321 0.3363000      1.264000  
1 1 1 38 4  4  o 4.5040  0.7452 -1.603000      1.490000  
1 1 1 38 4  5  f 2.9130  0.7457 -0.7487000     1.491000  
1 1 1 38 4  6  o 2.3690  0.7002 -0.6941000     1.400000  
1 1 1 38 4  7  o 4.1410  0.7060 1.289000       1.412000  
1 1 1 38 4  8  o 2.2950  0.7486 -0.1261000     1.497000  
1 1 1 38 5  0  o 2.1780  1.3000 0.000000       0.000000  
1 1 1 38 5  1  o 2.7680  0.8000 0.4735000      1.600000  
1 1 1 38 5  2  f 2.7560  0.7546 1.592000       1.509000  
1 1 1 38 5  3  o 2.7500  0.6959 1.730000       1.392000  
1 1 1 38 5  4  o 9.0520  0.4159 0.7838000      0.8318000 
1 1 1 38 5  5  o 5.2630  0.6789 -0.1937000     1.358000  
1 1 1 38 5  6  o 2.7410  0.8680 -0.9487000E-01 1.736000  
# 
#END OF REFLECTIONS
