data_r5d5csf
# 
_audit.revision_id     1_0 
_audit.creation_date   2016-01-13 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5d5c 
_cell.length_a      79.0900 
_cell.length_b      79.0900 
_cell.length_c      38.2900 
_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   . 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.677 
_diffrn_reflns.pdbx_d_res_low    39.545 
_diffrn_reflns.limit_h_max       45 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       32 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       22 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            13626 
_diffrn_reflns.pdbx_number_obs   13594 
# 
_entry.id   5d5c 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5d5c 
_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 "Y+1/2,  -X+1/2,  Z+1/4"  
4 "X+1/2,  -Y+1/2,  -Z+1/4" 
5 "-X+1/2,  Y+1/2,  -Z+3/4" 
6 "-X,  -Y,  Z+1/2"         
7 "Y,  X,  -Z"              
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.intensity_meas 
_refln.intensity_sigma 
1 1 1 0  0  4  f 73920.00    9107.00   
1 1 1 0  0  8  o 567400.00   69410.00  
1 1 1 0  0  20 o -2035.0000  6161.00   
1 1 1 1  0  1  o 91950.00    9443.00   
1 1 1 1  0  2  o 312100.00   24630.00  
1 1 1 1  0  4  o 31580.00    2962.00   
1 1 1 1  0  5  o 68030.00    4916.00   
1 1 1 1  0  6  o 45870.00    4208.00   
1 1 1 1  0  7  o 4792.00     1403.00   
1 1 1 1  0  8  o 23210.00    2606.00   
1 1 1 1  0  9  o 279200.00   34490.00  
1 1 1 1  0  10 o 66800.00    9878.00   
1 1 1 1  0  11 o 3350.00     3123.00   
1 1 1 1  0  12 o 40920.00    4425.00   
1 1 1 1  0  18 o -11920.0000 6164.00   
1 1 1 1  0  19 o 2544.00     6413.00   
1 1 1 1  0  20 o -322.3000   3579.00   
1 1 1 1  0  21 o 616.400     3698.00   
1 1 1 1  0  22 o 828.100     3655.00   
1 1 1 1  1  1  o 94460.00    5340.00   
1 1 1 1  1  2  o 274200.00   19810.00  
1 1 1 1  1  3  o 2163.00     666.000   
1 1 1 1  1  4  o 56050.00    5120.00   
1 1 1 1  1  5  o 104400.00   9315.00   
1 1 1 1  1  6  o 112900.00   10120.00  
1 1 1 1  1  7  o 32770.00    3893.00   
1 1 1 1  1  8  o 14900.00    1922.00   
1 1 1 1  1  9  o 31410.00    2929.00   
1 1 1 1  1  10 o 2571.00     1681.00   
1 1 1 1  1  12 o 193600.00   24210.00  
1 1 1 1  1  13 o 150100.00   19440.00  
1 1 1 1  1  14 o 56240.00    7499.00   
1 1 1 1  1  18 o 10540.00    6451.00   
1 1 1 1  1  19 o 29160.00    5726.00   
1 1 1 1  1  20 o -10950.0000 4407.00   
1 1 1 1  1  21 o -5201.0000  4416.00   
1 1 1 1  1  22 o -2648.0000  3693.00   
1 1 1 2  0  0  o 185800.00   13410.00  
1 1 1 2  0  2  o 92930.00    6853.00   
1 1 1 2  0  3  o 16890.00    1725.00   
1 1 1 2  0  4  f 30840.00    2417.00   
1 1 1 2  0  5  o 19950.00    1984.00   
1 1 1 2  0  6  o 33350.00    3231.00   
1 1 1 2  0  7  o 7261.00     1542.00   
1 1 1 2  0  8  f 156600.00   13870.00  
1 1 1 2  0  9  o 78050.00    10170.00  
1 1 1 2  0  10 o 375700.00   45910.00  
1 1 1 2  0  11 o 66560.00    6335.00   
1 1 1 2  0  12 o 7327.00     5256.00   
1 1 1 2  0  13 o 3475.00     2912.00   
1 1 1 2  0  14 o 5177.00     1500.00   
1 1 1 2  0  15 o -2918.0000  4934.00   
1 1 1 2  0  16 o -2263.0000  5584.00   
1 1 1 2  0  17 o 9868.00     6215.00   
1 1 1 2  0  19 o 1033.00     6559.00   
1 1 1 2  0  20 o 831.700     3520.00   
1 1 1 2  0  21 o -1127.0000  4667.00   
1 1 1 2  0  22 o -761.0000   3829.00   
1 1 1 2  1  0  f 415400.00   27340.00  
1 1 1 2  1  1  o 89490.00    3594.00   
1 1 1 2  1  2  o 200600.00   7757.00   
1 1 1 2  1  3  o 12000.00    796.200   
1 1 1 2  1  4  o 22720.00    1345.00   
1 1 1 2  1  5  o 127900.00   7312.00   
1 1 1 2  1  6  o 71100.00    4602.00   
1 1 1 2  1  7  o 48960.00    4879.00   
1 1 1 2  1  8  o 22290.00    2794.00   
1 1 1 2  1  9  o 19850.00    2308.00   
1 1 1 2  1  10 o 46990.00    3394.00   
1 1 1 2  1  11 o 71190.00    6963.00   
1 1 1 2  1  12 o 348000.00   25270.00  
1 1 1 2  1  13 o 8878.00     2081.00   
1 1 1 2  1  14 o 9480.00     3293.00   
1 1 1 2  1  15 o 14210.00    2354.00   
1 1 1 2  1  16 o 4356.00     4078.00   
1 1 1 2  1  17 o 17490.00    6583.00   
1 1 1 2  1  18 o 18530.00    3971.00   
1 1 1 2  1  19 o 6684.00     3867.00   
1 1 1 2  1  20 o 10900.00    3450.00   
1 1 1 2  1  21 o 4525.00     3982.00   
1 1 1 2  1  22 o 4226.00     2946.00   
1 1 1 2  2  0  o 54640.00    6852.00   
1 1 1 2  2  1  o 441700.00   24690.00  
1 1 1 2  2  2  o 513900.00   27310.00  
1 1 1 2  2  3  o 633400.00   27810.00  
1 1 1 2  2  4  o 979.600     839.200   
1 1 1 2  2  5  o 19780.00    1658.00   
1 1 1 2  2  6  o 131500.00   11880.00  
1 1 1 2  2  8  o 17930.00    2382.00   
1 1 1 2  2  9  f 66360.00    9628.00   
1 1 1 2  2  10 o 73080.00    6975.00   
1 1 1 2  2  11 o 57360.00    5507.00   
1 1 1 2  2  12 o 8474.00     2289.00   
1 1 1 2  2  13 o 4645.00     2162.00   
1 1 1 2  2  15 o 7382.00     2843.00   
1 1 1 2  2  16 o 2834.00     2731.00   
1 1 1 2  2  17 o 3786.00     1729.00   
1 1 1 2  2  18 o 13220.00    4651.00   
1 1 1 2  2  19 o -4184.0000  6832.00   
1 1 1 2  2  20 o 294.000     4850.00   
1 1 1 2  2  21 o 10310.00    5266.00   
1 1 1 2  2  22 o -8423.0000  6558.00   
1 1 1 3  0  1  o 25630.00    2065.00   
1 1 1 3  0  2  o 32920.00    2774.00   
1 1 1 3  0  3  o 132900.00   13900.00  
1 1 1 3  0  4  f 75300.00    4942.00   
1 1 1 3  0  5  o 34040.00    2762.00   
1 1 1 3  0  6  o 72480.00    5363.00   
1 1 1 3  0  7  f 100700.00   7208.00   
1 1 1 3  0  8  o 116200.00   8256.00   
1 1 1 3  0  9  o 22860.00    5436.00   
1 1 1 3  0  10 o 7940.00     1942.00   
1 1 1 3  0  11 o 486000.00   38880.00  
1 1 1 3  0  12 o 399300.00   26820.00  
1 1 1 3  0  13 o 2642.00     3412.00   
1 1 1 3  0  14 f 144700.00   10380.00  
1 1 1 3  0  15 o 12800.00    2576.00   
1 1 1 3  0  16 o 811.500     1956.00   
1 1 1 3  0  17 o 34380.00    8206.00   
1 1 1 3  0  19 o 10750.00    7178.00   
1 1 1 3  0  20 o 12640.00    3864.00   
1 1 1 3  0  21 o 12910.00    4177.00   
1 1 1 3  0  22 o 1712.00     3995.00   
1 1 1 3  1  0  o 141100.00   7905.00   
1 1 1 3  1  1  o 122000.00   5774.00   
1 1 1 3  1  2  o 116200.00   4694.00   
1 1 1 3  1  3  o 39440.00    1739.00   
1 1 1 3  1  4  o 81750.00    3371.00   
1 1 1 3  1  5  o 53160.00    3358.00   
1 1 1 3  1  6  f 18850.00    1788.00   
1 1 1 3  1  7  o 129100.00   7963.00   
1 1 1 3  1  8  o 289300.00   13890.00  
1 1 1 3  1  9  o 14220.00    1517.00   
1 1 1 3  1  10 o 350700.00   20750.00  
1 1 1 3  1  11 o 22220.00    2077.00   
1 1 1 3  1  12 o 91770.00    4895.00   
1 1 1 3  1  13 o 68170.00    4168.00   
1 1 1 3  1  14 o 8613.00     1453.00   
1 1 1 3  1  15 o 14210.00    2470.00   
1 1 1 3  1  16 o 37680.00    3553.00   
1 1 1 3  1  17 o 81570.00    8147.00   
1 1 1 3  1  18 o 16950.00    3496.00   
1 1 1 3  1  19 f -612.9000   3276.00   
1 1 1 3  1  20 o 6314.00     3373.00   
1 1 1 3  1  21 o 814.800     3869.00   
1 1 1 3  1  22 o 796.000     2755.00   
1 1 1 3  2  0  o 38740.00    2397.00   
1 1 1 3  2  1  o 46570.00    2030.00   
1 1 1 3  2  2  o 217200.00   8240.00   
1 1 1 3  2  3  o 158900.00   4903.00   
1 1 1 3  2  4  o 212500.00   7572.00   
1 1 1 3  2  5  o 69720.00    2839.00   
1 1 1 3  2  6  o 41450.00    2195.00   
1 1 1 3  2  7  o 209900.00   10940.00  
1 1 1 3  2  8  o 93860.00    7046.00   
1 1 1 3  2  9  o 61150.00    3887.00   
1 1 1 3  2  10 o 228700.00   14990.00  
1 1 1 3  2  11 o 78410.00    5407.00   
1 1 1 3  2  12 o 13730.00    1779.00   
1 1 1 3  2  13 o 37850.00    3653.00   
1 1 1 3  2  14 o 26970.00    2276.00   
1 1 1 3  2  15 o 79230.00    4413.00   
1 1 1 3  2  16 o 32870.00    2989.00   
1 1 1 3  2  17 o 47850.00    3522.00   
1 1 1 3  2  18 o 1298.00     1596.00   
1 1 1 3  2  19 o -1469.0000  3774.00   
1 1 1 3  2  20 o 106.400     3462.00   
1 1 1 3  2  21 o 92.490      3430.00   
1 1 1 3  2  22 o 1760.00     3700.00   
1 1 1 3  3  0  o 32810.00    3153.00   
1 1 1 3  3  1  o 1001.00     624.200   
1 1 1 3  3  2  o 344700.00   19290.00  
1 1 1 3  3  3  o 517100.00   25250.00  
1 1 1 3  3  4  o 175200.00   8480.00   
1 1 1 3  3  5  o 6955.00     1211.00   
1 1 1 3  3  6  o 17240.00    1808.00   
1 1 1 3  3  7  o 9562.00     1907.00   
1 1 1 3  3  8  o 443.700     2041.00   
1 1 1 3  3  9  f 9465.00     2364.00   
1 1 1 3  3  10 o 65840.00    5187.00   
1 1 1 3  3  11 o 22690.00    4132.00   
1 1 1 3  3  12 o 130200.00   9151.00   
1 1 1 3  3  13 o 3466.00     2124.00   
1 1 1 3  3  14 o 55700.00    4650.00   
1 1 1 3  3  15 o 81020.00    7880.00   
1 1 1 3  3  16 o 49900.00    8362.00   
1 1 1 3  3  17 o 38690.00    4571.00   
1 1 1 3  3  18 o 31290.00    5639.00   
1 1 1 3  3  19 o 10540.00    2331.00   
1 1 1 3  3  20 o -1001.0000  6802.00   
1 1 1 3  3  21 o 21490.00    5757.00   
1 1 1 4  0  0  o 586600.00   42270.00  
1 1 1 4  0  1  o 42890.00    3267.00   
1 1 1 4  0  3  o 75300.00    8444.00   
1 1 1 4  0  4  o -225.3000   1485.00   
1 1 1 4  0  5  o 67810.00    5459.00   
1 1 1 4  0  6  o 77090.00    5599.00   
1 1 1 4  0  7  o 164000.00   11380.00  
1 1 1 4  0  8  o 93570.00    7086.00   
1 1 1 4  0  9  o 132000.00   9330.00   
1 1 1 4  0  10 o 97150.00    7152.00   
1 1 1 4  0  11 o 35500.00    3367.00   
1 1 1 4  0  12 o 75540.00    7274.00   
1 1 1 4  0  13 o 2941.00     2098.00   
1 1 1 4  0  14 o 34640.00    3394.00   
1 1 1 4  0  15 o 50710.00    4467.00   
1 1 1 4  0  16 o 19130.00    3675.00   
1 1 1 4  0  17 o 7002.00     2215.00   
1 1 1 4  0  19 o -5008.0000  6921.00   
1 1 1 4  0  20 o 16610.00    5275.00   
1 1 1 4  0  21 o 6923.00     3920.00   
1 1 1 4  0  22 o -1352.0000  3819.00   
1 1 1 4  1  0  o 10890.00    879.300   
1 1 1 4  1  1  o 40730.00    1900.00   
1 1 1 4  1  2  o 254700.00   10940.00  
1 1 1 4  1  3  o 98660.00    4288.00   
1 1 1 4  1  4  o 103500.00   4784.00   
1 1 1 4  1  5  o 73960.00    3557.00   
1 1 1 4  1  6  o 25120.00    2504.00   
1 1 1 4  1  7  o 16570.00    2684.00   
1 1 1 4  1  8  o 154900.00   9224.00   
1 1 1 4  1  9  o 273500.00   14720.00  
1 1 1 4  1  10 o 131600.00   8134.00   
1 1 1 4  1  11 o 49620.00    3104.00   
1 1 1 4  1  12 o 75840.00    4693.00   
1 1 1 4  1  13 o 26020.00    2088.00   
1 1 1 4  1  14 o 50630.00    3353.00   
1 1 1 4  1  15 o 10910.00    1481.00   
1 1 1 4  1  16 o 21520.00    2842.00   
1 1 1 4  1  17 o 14000.00    2868.00   
1 1 1 4  1  18 o -3030.0000  3005.00   
1 1 1 4  1  19 o 19850.00    3771.00   
1 1 1 4  1  20 o 4295.00     3988.00   
1 1 1 4  1  21 f 3330.00     3411.00   
1 1 1 4  1  22 o -669.7000   2930.00   
1 1 1 4  2  0  f 128900.00   7344.00   
1 1 1 4  2  1  o 137600.00   6540.00   
1 1 1 4  2  2  o 422000.00   16610.00  
1 1 1 4  2  3  o 338200.00   11960.00  
1 1 1 4  2  4  o 75470.00    2693.00   
1 1 1 4  2  5  f 260700.00   9162.00   
1 1 1 4  2  6  o 10830.00    1120.00   
1 1 1 4  2  7  o 17280.00    1958.00   
1 1 1 4  2  8  o 273600.00   18580.00  
1 1 1 4  2  9  o 102900.00   5864.00   
1 1 1 4  2  10 o 14840.00    1973.00   
1 1 1 4  2  11 o 54970.00    3703.00   
1 1 1 4  2  12 o 75190.00    4591.00   
1 1 1 4  2  13 o 2506.00     958.100   
1 1 1 4  2  14 o 31020.00    2294.00   
1 1 1 4  2  15 o 38110.00    2834.00   
1 1 1 4  2  16 o 52630.00    3386.00   
1 1 1 4  2  17 o 5010.00     2141.00   
1 1 1 4  2  18 o 17110.00    2908.00   
1 1 1 4  2  19 o 545.100     1984.00   
1 1 1 4  2  20 o 5526.00     3951.00   
1 1 1 4  2  21 o 4144.00     3498.00   
1 1 1 4  2  22 o -68.0100    3511.00   
1 1 1 4  3  0  o 602500.00   47190.00  
1 1 1 4  3  1  o 520200.00   21050.00  
1 1 1 4  3  2  o 170600.00   6582.00   
1 1 1 4  3  3  f 331000.00   12560.00  
1 1 1 4  3  4  o 10770.00    729.000   
1 1 1 4  3  5  o 49850.00    1964.00   
1 1 1 4  3  6  o 30220.00    1871.00   
1 1 1 4  3  7  o 37590.00    2346.00   
1 1 1 4  3  8  o 92760.00    4027.00   
1 1 1 4  3  9  o 48690.00    3378.00   
1 1 1 4  3  10 o 156700.00   6660.00   
1 1 1 4  3  11 o 42220.00    2971.00   
1 1 1 4  3  12 o 515500.00   28000.00  
1 1 1 4  3  13 o 51390.00    3309.00   
1 1 1 4  3  14 o 40290.00    2789.00   
1 1 1 4  3  15 o 33380.00    2485.00   
1 1 1 4  3  16 o 18060.00    2041.00   
1 1 1 4  3  17 o 13640.00    1998.00   
1 1 1 4  3  18 o 7744.00     3317.00   
1 1 1 4  3  19 o 3240.00     2090.00   
1 1 1 4  3  20 o 3650.00     1984.00   
1 1 1 4  3  21 o -118.4000   3497.00   
1 1 1 4  3  22 o 5470.00     4156.00   
1 1 1 4  4  0  o 802900.00   69270.00  
1 1 1 4  4  1  o 71760.00    3940.00   
1 1 1 4  4  2  o 1368.00     906.700   
1 1 1 4  4  3  o 131500.00   7736.00   
1 1 1 4  4  4  o 95570.00    5080.00   
1 1 1 4  4  5  o 260000.00   11750.00  
1 1 1 4  4  6  o 6272.00     1619.00   
1 1 1 4  4  7  o 197800.00   13530.00  
1 1 1 4  4  8  o 52740.00    3706.00   
1 1 1 4  4  9  o 274.200     1202.00   
1 1 1 4  4  10 o 15090.00    2280.00   
1 1 1 4  4  11 o 134300.00   8072.00   
1 1 1 4  4  12 o 47940.00    4736.00   
1 1 1 4  4  13 o 39050.00    4817.00   
1 1 1 4  4  14 o 1678.00     2455.00   
1 1 1 4  4  15 o 6918.00     2186.00   
1 1 1 4  4  16 o 1215.00     1769.00   
1 1 1 4  4  17 o 930.100     2303.00   
1 1 1 4  4  18 o -1590.0000  4613.00   
1 1 1 4  4  19 o 10870.00    3259.00   
1 1 1 4  4  20 o 1120.00     2720.00   
1 1 1 4  4  21 o -3238.0000  4978.00   
1 1 1 4  4  22 o -2857.0000  5101.00   
1 1 1 5  0  1  o 289300.00   20890.00  
1 1 1 5  0  3  o 9630.00     2728.00   
1 1 1 5  0  4  o 114000.00   8818.00   
1 1 1 5  0  5  o 328800.00   26050.00  
1 1 1 5  0  6  o 36540.00    5264.00   
1 1 1 5  0  7  o -1420.0000  1609.00   
1 1 1 5  0  8  o 245200.00   16800.00  
1 1 1 5  0  9  o 136600.00   9833.00   
1 1 1 5  0  10 f 108800.00   9493.00   
1 1 1 5  0  11 o 64060.00    5019.00   
1 1 1 5  0  12 o 12560.00    2018.00   
1 1 1 5  0  13 o 23170.00    3745.00   
1 1 1 5  0  14 o 61320.00    6574.00   
1 1 1 5  0  15 o 3931.00     1798.00   
1 1 1 5  0  16 o 14160.00    2363.00   
1 1 1 5  0  17 o 5459.00     2324.00   
1 1 1 5  0  18 o 5681.00     2692.00   
1 1 1 5  0  19 o -4568.0000  6522.00   
1 1 1 5  0  20 o 9002.00     5014.00   
1 1 1 5  0  21 o -4038.0000  4497.00   
1 1 1 5  0  22 o 1656.00     4648.00   
1 1 1 5  1  0  o 250600.00   18210.00  
1 1 1 5  1  1  o 74080.00    4051.00   
1 1 1 5  1  2  o 505700.00   28050.00  
1 1 1 5  1  3  o 176100.00   7989.00   
1 1 1 5  1  4  o 217700.00   9833.00   
1 1 1 5  1  5  o 163200.00   7455.00   
1 1 1 5  1  6  o 187600.00   8046.00   
1 1 1 5  1  7  f 28210.00    2722.00   
1 1 1 5  1  8  o 64580.00    4136.00   
1 1 1 5  1  9  f 143600.00   8971.00   
1 1 1 5  1  10 o 105700.00   6155.00   
1 1 1 5  1  11 o 107300.00   6032.00   
1 1 1 5  1  12 f 346100.00   16620.00  
1 1 1 5  1  13 o 6385.00     1440.00   
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1 1 1 45 6  0  o 7607.00     3074.00   
1 1 1 45 6  1  o 10290.00    2229.00   
1 1 1 45 6  2  o 6765.00     2073.00   
1 1 1 45 7  0  o 20220.00    4478.00   
1 1 1 45 7  1  o 10950.00    2923.00   
1 1 1 0  0  12 x ?           ?         
1 1 1 0  0  16 x ?           ?         
1 1 1 1  0  3  x ?           ?         
1 1 1 1  0  13 x ?           ?         
1 1 1 1  0  14 x ?           ?         
1 1 1 1  0  15 x ?           ?         
1 1 1 1  0  16 x ?           ?         
1 1 1 1  0  17 x ?           ?         
1 1 1 1  1  11 x ?           ?         
1 1 1 1  1  15 x ?           ?         
1 1 1 1  1  16 x ?           ?         
1 1 1 1  1  17 x ?           ?         
1 1 1 2  0  1  x ?           ?         
1 1 1 2  0  18 x ?           ?         
1 1 1 2  2  7  x ?           ?         
1 1 1 2  2  14 x ?           ?         
1 1 1 3  0  18 x ?           ?         
1 1 1 4  0  2  x ?           ?         
1 1 1 4  0  18 x ?           ?         
1 1 1 5  0  2  x ?           ?         
1 1 1 9  0  4  x ?           ?         
1 1 1 10 0  4  x ?           ?         
1 1 1 13 11 17 x ?           ?         
1 1 1 14 14 6  x ?           ?         
1 1 1 20 0  2  x ?           ?         
1 1 1 21 0  5  x ?           ?         
1 1 1 24 5  14 x ?           ?         
1 1 1 8  8  0  x ?           ?         
1 1 1 11 11 18 x ?           ?         
1 1 1 15 0  4  x ?           ?         
1 1 1 16 15 1  x ?           ?         
1 1 1 24 24 12 x ?           ?         
# 
#END OF REFLECTIONS
