+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXL-97 - CRYSTAL STRUCTURE REFINEMENT - WinGX VERSION + + Copyright(C) George M. Sheldrick 1993-7 Release 97-2 + + 2008sjc0003 started at 19:06:16 on 18-Mar-2008 + +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TITL 2008sjc0003 in I-4 CELL 0.71073 12.5009 12.5009 6.9133 90.000 90.000 90.000 ZERR 2.00 0.0001 0.0001 0.0001 0.000 0.000 0.000 LATT -2 SYMM - X, - Y, Z SYMM Y, - X, - Z SYMM - Y, X, - Z SFAC C H N CU P F UNIT 40 40 8 2 2 12 V = 1080.36 F(000) = 532.0 Mu = 1.15 mm-1 Cell Wt = 1049.82 Rho = 1.614 MERG 2 OMIT -3.00 55.00 OMIT 1 2 1 OMIT -2 1 1 FMAP 2 PLAN 10 SIZE 0.12 0.15 0.60 ACTA BOND WGHT 0.03680 0.30770 L.S. 4 TEMP -153.00 FVAR 0.83289 C1 1 0.284585 0.553789 0.834267 11.00000 0.01948 0.01972 = 0.03126 -0.00081 -0.00083 -0.00272 AFIX 43 H1 2 0.259419 0.504580 0.928579 11.00000 -1.20000 AFIX 0 C2 1 0.211480 0.599942 0.710658 11.00000 0.02028 0.02533 = 0.03606 -0.00500 -0.00452 0.00038 AFIX 43 H2 2 0.137816 0.581773 0.718473 11.00000 -1.20000 AFIX 0 C3 1 0.247024 0.673254 0.574785 11.00000 0.02969 0.03280 = 0.02738 -0.00033 -0.00527 0.00846 AFIX 43 H3 2 0.198430 0.705380 0.486539 11.00000 -1.20000 AFIX 0 C4 1 0.354724 0.698752 0.570175 11.00000 0.03273 0.03306 = 0.02617 0.00693 0.00450 0.00512 AFIX 43 H4 2 0.381003 0.750722 0.481890 11.00000 -1.20000 AFIX 0 C5 1 0.423317 0.647342 0.696124 11.00000 0.02001 0.02737 = 0.02821 0.00440 0.00421 0.00097 AFIX 43 H5 2 0.497435 0.663727 0.689543 11.00000 -1.20000 AFIX 0 N1 3 0.390469 0.575327 0.827469 11.00000 0.01797 0.01939 = 0.02586 0.00018 -0.00035 0.00049 CU1 4 0.500000 0.500000 1.000000 10.25000 0.01940 0.01940 = 0.02864 0.00000 0.00000 0.00000 P1 5 0.500000 1.000000 0.750000 10.25000 0.02003 0.02003 = 0.02022 0.00000 0.00000 0.00000 F1 6 0.500000 1.000000 0.518410 10.50000 0.06961 0.04848 = 0.02130 0.00000 0.00000 0.00970 F2 6 0.534846 0.877794 0.749992 11.00000 0.07308 0.02541 = 0.06027 0.00433 -0.00313 0.01244 HKLF 4 Covalent radii and connectivity table for 2008sjc0003 in I-4 C 0.770 H 0.320 N 0.700 CU 1.280 P 1.100 F 0.640 C1 - N1 C2 C2 - C1 C3 C3 - C4 C2 C4 - C5 C3 C5 - N1 C4 N1 - C5 C1 Cu1 Cu1 - N1_$2 N1_$3 N1 N1_$1 P1 - F2_$4 F2_$5 F2 F2_$6 F1_$4 F1 F1 - P1 F2 - P1 Operators for generating equivalent atoms: $1 -x+1, -y+1, z $2 y, -x+1, -z+2 $3 -y+1, x, -z+2 $4 y-1/2, -x+3/2, -z+3/2 $5 -x+1, -y+2, z $6 -y+3/2, x+1/2, -z+3/2 9789 Reflections read, of which 5 rejected -16 =< h =< 16, -16 =< k =< 16, -8 =< l =< 8, Max. 2-theta = 54.91 0 Systematic absence violations 0 Inconsistent equivalents 1236 Unique reflections, of which 0 suppressed R(int) = 0.0331 R(sigma) = 0.0260 Friedel opposites not merged Maximum memory for data reduction = 1194 / 14625 Special position constraints for Cu1 x = 0.5000 y = 0.5000 z = 1.0000 U22 = 1.0 * U11 U23 = 0 U13 = 0 U12 = 0 sof = 0.25000 Input constraints retained (at least in part) for sof Special position constraints for P1 x = 0.5000 y = 1.0000 z = 0.7500 U22 = 1.0 * U11 U23 = 0 U13 = 0 U12 = 0 sof = 0.25000 Input constraints retained (at least in part) for sof Special position constraints for F1 x = 0.5000 y = 1.0000 U23 = 0 U13 = 0 sof = 0.50000 Input constraints retained (at least in part) for sof Default effective X-H distances for T = -153.0 C AFIX m = 1 2 3 4 4[N] 3[N] 15[B] 8[O] 9 9[N] 16 d(X-H) = 1.00 0.99 0.98 0.95 0.88 0.91 1.12 0.84 0.95 0.88 0.95 Note that these distances are chosen to give the best fit to the X-ray data and so avoid the introduction of systematic error. The true internuclear distances are longer and do not vary with temperature ! The apparent variation with temperature is caused by libration. Least-squares cycle 1 Maximum vector length = 511 Memory required = 1411 / 102492 wR2 = 0.0649 before cycle 1 for 1236 data and 73 / 73 parameters GooF = S = 1.125; Restrained GooF = 1.125 for 0 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0368 * P )^2 + 0.31 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.83446 0.00173 0.908 OSF Mean shift/esd = 0.301 Maximum = 1.044 for U11 F2 Max. shift = 0.002 A for C2 Max. dU = 0.000 for F2 Least-squares cycle 2 Maximum vector length = 511 Memory required = 1411 / 102492 wR2 = 0.0644 before cycle 2 for 1236 data and 73 / 73 parameters GooF = S = 1.117; Restrained GooF = 1.117 for 0 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0368 * P )^2 + 0.31 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.83472 0.00171 0.153 OSF Mean shift/esd = 0.100 Maximum = 0.464 for U11 F2 Max. shift = 0.001 A for F2 Max. dU = 0.000 for F2 Least-squares cycle 3 Maximum vector length = 511 Memory required = 1411 / 102492 wR2 = 0.0643 before cycle 3 for 1236 data and 73 / 73 parameters GooF = S = 1.116; Restrained GooF = 1.116 for 0 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0368 * P )^2 + 0.31 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.83474 0.00171 0.015 OSF Mean shift/esd = 0.005 Maximum = 0.054 for U11 F2 Max. shift = 0.000 A for F2 Max. dU = 0.000 for F2 Least-squares cycle 4 Maximum vector length = 511 Memory required = 1411 / 102492 wR2 = 0.0643 before cycle 4 for 1236 data and 73 / 73 parameters GooF = S = 1.116; Restrained GooF = 1.116 for 0 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0368 * P )^2 + 0.31 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 N value esd shift/esd parameter 1 0.83475 0.00171 0.001 OSF Mean shift/esd = 0.001 Maximum = 0.006 for U11 F2 Max. shift = 0.000 A for C3 Max. dU = 0.000 for C2 Largest correlation matrix elements 0.698 U11 Cu1 / OSF Idealized hydrogen atom generation before cycle 5 Name x y z AFIX d(X-H) shift Bonded to Conformation determined by H1 0.2594 0.5046 0.9284 43 0.950 0.000 C1 N1 C2 H2 0.1380 0.5819 0.7186 43 0.950 0.000 C2 C1 C3 H3 0.1984 0.7053 0.4864 43 0.950 0.000 C3 C4 C2 H4 0.3811 0.7506 0.4821 43 0.950 0.000 C4 C5 C3 H5 0.4973 0.6637 0.6894 43 0.950 0.000 C5 N1 C4 2008sjc0003 in I-4 ATOM x y z sof U11 U22 U33 U23 U13 U12 Ueq C1 0.28457 0.55387 0.83416 1.00000 0.02018 0.01953 0.03102 -0.00016 -0.00065 -0.00257 0.02358 0.00326 0.00014 0.00015 0.00030 0.00000 0.00085 0.00084 0.00098 0.00074 0.00077 0.00068 0.00038 H1 0.25935 0.50462 0.92835 1.00000 0.02829 0.00000 0.00000 C2 0.21165 0.60003 0.71065 1.00000 0.01987 0.02558 0.03595 -0.00573 -0.00429 0.00039 0.02713 0.00335 0.00016 0.00016 0.00031 0.00000 0.00086 0.00094 0.00110 0.00078 0.00076 0.00070 0.00042 H2 0.13798 0.58187 0.71857 1.00000 0.03256 0.00000 0.00000 C3 0.24698 0.67324 0.57473 1.00000 0.02948 0.03317 0.02690 -0.00095 -0.00524 0.00873 0.02985 0.00372 0.00017 0.00017 0.00032 0.00000 0.00102 0.00107 0.00088 0.00081 0.00079 0.00081 0.00043 H3 0.19839 0.70534 0.48644 1.00000 0.03582 0.00000 0.00000 C4 0.35473 0.69862 0.57036 1.00000 0.03314 0.03341 0.02665 0.00679 0.00513 0.00560 0.03107 0.00422 0.00018 0.00018 0.00033 0.00000 0.00108 0.00108 0.00093 0.00081 0.00083 0.00084 0.00045 H4 0.38106 0.75057 0.48209 1.00000 0.03728 0.00000 0.00000 C5 0.42323 0.64734 0.69613 1.00000 0.02007 0.02745 0.02879 0.00398 0.00450 0.00077 0.02544 0.00357 0.00015 0.00016 0.00029 0.00000 0.00087 0.00095 0.00100 0.00074 0.00073 0.00073 0.00040 H5 0.49734 0.66373 0.68942 1.00000 0.03052 0.00000 0.00000 N1 0.39052 0.57544 0.82754 1.00000 0.01828 0.01959 0.02608 -0.00042 -0.00028 0.00068 0.02132 0.00266 0.00012 0.00012 0.00025 0.00000 0.00071 0.00072 0.00081 0.00061 0.00062 0.00058 0.00032 Cu1 0.50000 0.50000 1.00000 0.25000 0.01944 0.01944 0.02863 0.00000 0.00000 0.00000 0.02250 0.00000 0.00000 0.00000 0.00000 0.00000 0.00015 0.00015 0.00022 0.00000 0.00000 0.00000 0.00013 P1 0.50000 1.00000 0.75000 0.25000 0.02009 0.02009 0.02023 0.00000 0.00000 0.00000 0.02014 0.00000 0.00000 0.00000 0.00000 0.00000 0.00028 0.00028 0.00046 0.00000 0.00000 0.00000 0.00020 F1 0.50000 1.00000 0.51850 0.50000 0.06988 0.04876 0.02220 0.00000 0.00000 0.00982 0.04695 0.00226 0.00000 0.00000 0.00033 0.00000 0.00128 0.00105 0.00095 0.00000 0.00000 0.00093 0.00046 F2 0.53466 0.87784 0.74996 1.00000 0.07483 0.02514 0.06068 0.00399 -0.00320 0.01255 0.05355 0.00304 0.00014 0.00011 0.00026 0.00000 0.00112 0.00066 0.00100 0.00066 0.00085 0.00067 0.00043 Final Structure Factor Calculation for 2008sjc0003 in I-4 Total number of l.s. parameters = 73 Maximum vector length = 511 Memory required = 1340 / 27090 wR2 = 0.0643 before cycle 5 for 1236 data and 2 / 73 parameters GooF = S = 1.116; Restrained GooF = 1.116 for 0 restraints Weight = 1 / [ sigma^2(Fo^2) + ( 0.0368 * P )^2 + 0.31 * P ] where P = ( Max ( Fo^2, 0 ) + 2 * Fc^2 ) / 3 R1 = 0.0250 for 1205 Fo > 4sig(Fo) and 0.0263 for all 1236 data wR2 = 0.0643, GooF = S = 1.116, Restrained GooF = 1.116 for all data Flack x parameter = 0.0427 with esd 0.0130 Expected values are 0 (within 3 esd's) for correct and +1 for inverted absolute structure. Note that this rough estimate ignores correlation with other parameters; if the above value differs significantly from zero, it is ESSENTIAL to test the inverted structure or refine x as a full-matrix parameter using TWIN and BASF Occupancy sum of asymmetric unit = 8.00 for non-hydrogen and 5.00 for hydrogen atoms Principal mean square atomic displacements U 0.0311 0.0224 0.0172 C1 0.0394 0.0234 0.0186 C2 0.0414 0.0278 0.0203 C3 0.0432 0.0278 0.0222 C4 0.0334 0.0249 0.0181 C5 0.0261 0.0198 0.0180 N1 0.0286 0.0194 0.0194 Cu1 0.0202 0.0201 0.0201 P1 0.0737 0.0449 0.0222 F1 0.0781 0.0610 0.0216 F2 Analysis of variance for reflections employed in refinement K = Mean[Fo^2] / Mean[Fc^2] for group Fc/Fc(max) 0.000 0.064 0.099 0.124 0.150 0.171 0.194 0.232 0.290 0.395 1.000 Number in group 125. 122. 128. 126. 120. 120. 125. 122. 124. 124. GooF 1.110 1.151 1.092 1.233 0.921 1.026 0.894 0.932 1.148 1.508 K 0.935 0.953 0.959 0.978 1.006 1.004 1.018 1.011 1.013 0.983 Resolution(A) 0.77 0.80 0.83 0.87 0.91 0.97 1.04 1.15 1.31 1.66 inf Number in group 127. 125. 125. 118. 126. 122. 123. 123. 123. 124. GooF 1.080 1.063 0.960 0.907 0.897 1.024 1.178 0.976 0.801 1.887 K 0.956 0.973 0.990 1.008 0.998 1.017 1.033 1.031 1.007 0.965 R1 0.053 0.048 0.035 0.026 0.023 0.020 0.025 0.019 0.013 0.029 Recommended weighting scheme: WGHT 0.0361 0.2393 Note that in most cases convergence will be faster if fixed weights (e.g. the default WGHT 0.1) are retained until the refinement is virtually complete, and only then should the above recommended values be used. Most Disagreeable Reflections (* if suppressed or used for Rfree) h k l Fo^2 Fc^2 Delta(F^2)/esd Fc/Fc(max) Resolution(A) 0 1 1 2289.02 4728.88 8.00 0.583 6.05 1 0 1 2293.34 4291.78 7.27 0.555 6.05 -5 11 0 341.49 442.15 4.26 0.178 1.03 -3 5 0 585.52 476.86 4.10 0.185 2.14 -2 6 0 3506.58 4189.08 4.03 0.548 1.98 4 1 1 439.69 360.73 3.74 0.161 2.78 1 5 0 141.96 182.56 3.68 0.114 2.45 -2 6 2 15.43 5.57 3.58 0.020 1.72 -1 11 0 324.80 262.14 3.41 0.137 1.13 5 9 6 298.40 229.18 3.15 0.128 0.84 -6 10 0 895.41 755.14 3.13 0.233 1.07 9 9 0 15.63 32.37 2.98 0.048 0.98 10 1 7 109.42 160.99 2.95 0.108 0.77 2 6 2 1455.14 1662.89 2.87 0.346 1.72 5 2 1 1909.47 2174.92 2.84 0.395 2.20 -6 2 2 1568.92 1776.52 2.71 0.357 1.72 -12 8 4 167.08 218.95 2.65 0.125 0.77 5 5 0 2269.31 2019.03 2.64 0.381 1.77 11 6 5 42.66 68.49 2.62 0.070 0.81 3 9 4 100.44 126.63 2.61 0.095 1.05 7 9 4 204.45 257.64 2.61 0.136 0.93 -2 5 1 2221.08 2491.85 2.56 0.423 2.20 -2 12 2 131.30 103.15 2.51 0.086 0.98 -13 9 2 169.33 222.36 2.42 0.126 0.77 -3 11 0 681.74 773.57 2.38 0.236 1.10 1 11 6 9.85 29.78 2.38 0.046 0.81 -1 13 2 239.31 285.45 2.37 0.143 0.92 15 2 1 193.68 241.59 2.36 0.132 0.82 3 5 2 212.20 178.12 2.26 0.113 1.82 -9 12 3 140.27 180.81 2.20 0.114 0.78 -5 9 0 44.84 31.85 2.18 0.048 1.21 -2 3 1 1365.56 1509.99 2.17 0.329 3.10 1 2 3 1411.39 1562.41 2.16 0.335 2.13 -5 9 2 626.37 558.25 2.10 0.200 1.15 -13 3 4 18.08 34.99 2.10 0.050 0.82 1 0 3 1965.01 2169.94 2.09 0.395 2.27 2 14 0 681.01 582.33 2.09 0.204 0.88 -12 8 2 20.33 35.28 2.09 0.050 0.84 4 4 0 2154.97 2366.12 2.08 0.412 2.21 9 13 2 180.65 229.88 2.08 0.128 0.77 -8 5 3 385.50 342.28 2.06 0.157 1.15 11 3 2 92.71 75.46 2.06 0.074 1.05 -7 2 5 300.92 263.97 2.05 0.138 1.08 0 1 3 1660.27 1829.08 2.05 0.362 2.27 7 13 0 37.31 21.35 2.04 0.039 0.85 13 1 2 317.61 364.67 2.04 0.162 0.92 -8 1 7 102.27 132.40 2.04 0.097 0.83 2 12 0 83.30 102.00 2.02 0.086 1.03 0 4 0 2940.05 3215.86 2.01 0.480 3.13 6 12 2 153.01 125.23 1.98 0.095 0.90 Bond lengths and angles C1 - Distance Angles N1 1.3524 (0.0023) C2 1.3758 (0.0028) 122.98 (0.18) C1 - N1 C2 - Distance Angles C1 1.3758 (0.0028) C3 1.3841 (0.0032) 119.16 (0.18) C2 - C1 C3 - Distance Angles C4 1.3842 (0.0032) C2 1.3841 (0.0032) 118.48 (0.19) C3 - C4 C4 - Distance Angles C5 1.3785 (0.0030) C3 1.3842 (0.0032) 118.95 (0.20) C4 - C5 C5 - Distance Angles N1 1.3417 (0.0024) C4 1.3785 (0.0030) 123.32 (0.19) C5 - N1 N1 - Distance Angles C5 1.3417 (0.0024) C1 1.3524 (0.0023) 117.05 (0.16) Cu1 2.0454 (0.0016) 119.98 (0.13) 122.93 (0.13) N1 - C5 C1 Cu1 - Distance Angles N1_$2 2.0454 (0.0016) N1_$3 2.0454 (0.0016) 108.69 (0.09) N1 2.0454 (0.0016) 109.86 (0.05) 109.86 (0.05) N1_$1 2.0454 (0.0016) 109.86 (0.05) 109.86 (0.05) 108.69 (0.09) Cu1 - N1_$2 N1_$3 N1 P1 - Distance Angles F2_$4 1.5874 (0.0014) F2_$5 1.5874 (0.0014) 90.00 (0.00) F2 1.5874 (0.0014) 90.00 (0.00) 179.98 (0.13) F2_$6 1.5874 (0.0014) 179.98 (0.13) 90.00 (0.00) 90.00 (0.00) F1_$4 1.6004 (0.0023) 89.99 (0.07) 90.01 (0.07) 90.01 (0.07) 89.99 (0.07) F1 1.6004 (0.0023) 90.01 (0.07) 89.99 (0.07) 89.99 (0.07) 90.01 (0.07) 180.00 (0.00) P1 - F2_$4 F2_$5 F2 F2_$6 F1_$4 F1 - Distance Angles P1 1.6004 (0.0023) F1 - F2 - Distance Angles P1 1.5874 (0.0014) F2 - FMAP and GRID set by program FMAP 2 3 11 GRID -3.125 -2 -1 3.125 2 1 R1 = 0.0255 for 674 unique reflections after merging for Fourier Electron density synthesis with coefficients Fo-Fc Highest peak 0.27 at 0.1186 0.4631 0.2430 [ 0.90 A from F2 ] Deepest hole -0.38 at 0.5085 0.4330 -0.0025 [ 0.84 A from CU1 ] Mean = 0.00, Rms deviation from mean = 0.07 e/A^3, Highest memory used = 1602 / 15908 Fourier peaks appended to .res file x y z sof U Peak Distances to nearest atoms (including symmetry equivalents) Q1 1 0.4631 0.8814 0.7570 1.00000 0.05 0.27 0.90 F2 1.50 F2 1.55 P1 2.20 F1 Q2 1 0.0373 0.6208 0.7530 1.00000 0.05 0.26 1.37 H2 1.52 H2 2.07 C2 2.20 H1 Q3 1 0.5000 1.0000 0.2500 0.25000 0.05 0.20 1.86 F1 2.02 H2 2.94 C2 3.46 P1 Q4 1 0.4026 0.6261 0.3836 1.00000 0.05 0.19 1.69 C4 1.72 H4 1.88 H5 2.19 C5 Q5 1 0.1198 0.5466 0.7519 1.00000 0.05 0.19 0.55 H2 1.36 C2 2.14 C1 2.19 H1 Q6 1 0.3896 0.7087 0.3395 1.00000 0.05 0.18 1.12 H4 1.66 C4 2.38 H1 2.38 C1 Q7 1 0.2197 0.6438 0.6575 1.00000 0.05 0.16 0.67 C2 0.76 C3 1.35 H2 1.44 H3 Q8 1 0.2008 0.5815 0.6839 1.00000 0.05 0.16 0.33 C2 0.82 H2 1.49 C3 1.51 C1 Q9 1 0.4628 0.7826 0.3707 1.00000 0.05 0.15 1.34 H4 1.81 C2 1.89 H2 2.00 C1 Q10 1 0.2617 0.5396 0.6032 1.00000 0.05 0.15 1.23 C2 1.63 C1 1.69 C3 1.82 H2 Shortest distances between peaks (including symmetry equivalents) 7 8 0.83 2 5 1.05 8 10 1.08 4 6 1.09 9 10 1.12 5 8 1.20 6 9 1.32 2 5 1.39 7 10 1.45 2 9 1.46 8 9 1.54 2 3 1.58 3 5 1.61 5 9 1.82 2 8 1.84 5 7 1.86 6 10 1.95 5 10 2.05 4 9 2.10 2 8 2.16 1 1 2.20 4 10 2.22 2 2 2.23 2 10 2.24 7 9 2.27 5 5 2.27 2 7 2.39 2 6 2.39 5 9 2.51 4 10 2.56 6 7 2.62 2 7 2.65 6 8 2.66 3 8 2.75 7 9 2.87 2 5 2.87 3 9 2.88 1 9 2.94 8 9 2.96 5 6 2.97 4 7 2.98 Time profile in seconds ----------------------- 0.08: Read and process instructions 0.00: Fit rigid groups 0.00: Interpret restraints etc. 0.00: Generate connectivity array 0.02: Analyse DFIX/DANG restraints 0.00: Analyse SAME/SADI restraints 0.00: Generate CHIV restraints 0.00: Check if bonds in residues restrained 0.00: Generate DELU restraints 0.00: Generate SIMU restraints 0.00: Generate ISOR restraints 0.00: Generate NCSY restraints 0.02: Analyse other restraints etc. 1.73: Read intensity data, sort/merge etc. 0.00: Set up constraints 0.00: OSF, H-atoms from difference map 0.00: Set up l.s. refinement 0.00: Generate idealized H-atoms 0.17: Structure factors and derivatives 0.13: Sum l.s. matrices 0.00: Generate and apply antibumping restraints 0.00: Apply other restraints 0.13: Solve l.s. equations 0.00: Generate HTAB table 0.00: Other dependent quantities, CIF, tables 0.02: Analysis of variance 0.02: Merge reflections for Fourier and .fcf 0.03: Fourier summations 0.02: Peaksearch 0.00: Analyse peaklist +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + 2008sjc0003 finished at 19:06:18 Total CPU time: 2.3 secs + +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++