+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXS-97 - CRYSTAL STRUCTURE SOLUTION - WinGX VERSION + + Copyright(C) George M. Sheldrick 1986-97 Release 97-2 + + 2007src0260 started at 22:27:45 on 19 Mar 2007 + +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TITL 2007src0260 in P4(1)2(1)2 CELL 0.71073 9.4197 9.4197 42.3480 90.000 90.000 90.000 ZERR 8.00 0.0001 0.0001 0.0009 0.000 0.000 0.000 LATT -1 SYMM -X, -Y, 0.5+Z SYMM 0.5-Y, 0.5+X, 0.25+Z SYMM 0.5+Y, 0.5-X, 0.75+Z SYMM 0.5-X, 0.5+Y, 0.25-Z SYMM 0.5+X, 0.5-Y, 0.75-Z SYMM Y, X, -Z SYMM -Y, -X, 0.5-Z SFAC C H N O P CL UNIT 120 136 32 8 24 16 V = 3757.57 At vol = 18.8 F(000) = 1776.0 mu = 0.61 mm-1 Max single Patterson vector = 17.4 cell wt = 3465.09 rho = 1.531 OMIT 4.00 180.00 ESEL 1.200 5.000 0.005 0.700 0 INIT 10 16 0.80 0.20 0.20 PHAN 10 0.90 0.30 124 40 10 TREF 256 189 0.85 3 -0.38 HKLF 4 28882 Reflections read, of which 127 rejected Maximum h, k, l and 2-Theta = 12. 12. 57. 57.62 INCONSISTENT EQUIVALENTS h k l F*F Sigma(F*F) Esd of mean(F*F) 1 7 0 12.50 4.71 25.42 2 4 6 23.93 2.75 24.67 0 4 7 36.59 8.39 52.69 1 3 8 168.09 3.66 20.23 1 6 8 54.96 3.74 35.99 1 6 12 96.67 3.44 17.27 2 2 13 85.13 3.56 24.61 1 4 14 14.29 2.79 21.83 1 5 15 12.51 2.47 20.17 0 1 16 31.28 1.34 12.44 3 3 16 238.11 8.79 52.91 2 6 16 9.05 3.04 34.11 0 3 20 49.15 25.26 365.06 1 1 21 230.84 7.67 46.02 1 2 22 18.00 2.46 165.39 4 6 40 194.88 13.39 75.82 2 3 42 25.98 12.54 63.58 2657 Unique reflections, of which 2175 observed R(int) = 0.1067 R(sigma) = 0.0648 Friedel opposites merged NUMBER OF UNIQUE DATA AS A FUNCTION OF RESOLUTION IN ANGSTROMS Resolution Inf 5.00 3.50 2.50 2.00 1.70 1.50 1.40 1.30 1.20 1.10 1.00 0.90 0.80 N(observed) 9. 24. 60. 82. 97. 119. 82. 109. 144. 199. 259. 360. 467. N(measured) 10. 26. 60. 86. 100. 120. 84. 113. 146. 205. 291. 437. 648. N(theory) 15. 26. 61. 86. 100. 120. 84. 113. 146. 206. 293. 441. 653. Two-theta 0.0 8.2 11.7 16.3 20.5 24.1 27.4 29.4 31.7 34.5 37.7 41.6 46.5 52.7 Highest memory for sort/merge = 6990 / 13285 Observed E .GT. 1.200 1.300 1.400 1.500 1.600 1.700 1.800 1.900 2.000 2.100 Number 747 616 519 432 366 289 228 183 150 108 Centric Acentric 0kl h0l hk0 Rest Mean Abs(E*E-1) 0.968 0.736 1.040 1.040 1.113 0.806 0.5 seconds CPU time SUMMARY OF PARAMETERS FOR 2007src0260 in P4(1)2(1)2 ESEL Emin 1.200 Emax 5.000 DelU 0.005 renorm 0.700 axis 0 OMIT s 4.00 2theta(lim) 180.0 INIT nn 10 nf 16 s+ 0.800 s- 0.200 wr 0.200 PHAN steps 10 cool 0.900 Boltz 0.300 ns 124 mtpr 40 mnqr 10 TREF np 256. nE 189 kapscal 0.850 ntan 3 wn -0.380 FMAP code 8 PLAN npeaks -37 del1 0.500 del2 1.500 MORE verbosity 1 TIME t 9999999. 124 Reflections and 1340. unique TPR for phase annealing 189 Phases refined using 4737. unique TPR 272 Reflections and 9487. unique TPR for R(alpha) 0.2 seconds CPU time 787 Unique negative quartets found, 787 used for phase refinement 0.2 seconds CPU time Highest memory used to derive phase relations = 5433 / 17977 ONE-PHASE SEMINVARIANTS h k l E P+ Phi 0 4 20 2.412 0.55 0 6 20 2.636 0.60 2 2 22 2.062 0.57 2 2 2 1.643 0.56 4 4 20 2.050 0.57 4 8 0 2.048 0.13 2 2 14 1.581 0.47 0 6 4 1.623 0.58 2 4 0 1.451 0.32 0 8 0 1.545 1.00 0 2 20 1.521 0.64 2 2 18 1.411 0.32 4 4 4 1.449 0.54 0 2 36 1.782 0.50 Expected value of Sigma-1 = 0.673 Following phases held constant with unit weights for the initial 4 weighted tangent cycles (before phase annealing): h k l E Phase/Comment 1 1 3 2.164 90 or 270 at random 0 2 9 2.144 135 or 315 at random 0 3 8 2.044 90 or 270 at random 0 3 1 2.038 45 or 225 at random 3 3 12 2.136 0 or 180 at random 0 2 10 2.097 90 or 270 at random 1 1 12 1.706 0 or 180 at random 0 3 2 1.789 0 or 180 at random 0 4 3 1.765 45 or 225 at random 4 8 0 2.048 180 sigma-1 = 0.134 0 1 28 2.041 90 or 270 at random All other phases random with initial weights of 0.200 replaced by 0.2*alpha (or 1 if less) during first 4 cycles - unit weights for all phases thereafter 180 Unique NQR employed in phase annealing 128 Parallel refinements, highest memory = 6116 / 56129 0.0 seconds CPU time STRUCTURE SOLUTION for 2007src0260 in P4(1)2(1)2 Phase annealing cycle: 1 Beta = 0.14822 Ralpha 0.204 0.415 0.126 0.562 0.351 0.057 0.140 0.729 0.234 0.374 0.315 0.246 0.105 0.292 0.068 0.167 0.332 0.221 0.284 0.149 Nqual -0.001 0.090-0.166-0.263-0.008-0.270-0.111-0.128 0.114-0.077-0.321-0.050 0.083 0.013-0.270 0.131-0.090 0.033-0.086-0.106 Mabs 0.799 0.649 0.911 0.597 0.687 1.122 0.897 0.549 0.813 0.668 0.709 0.766 1.008 0.734 1.095 0.884 0.698 0.822 0.739 0.947 Phase annealing cycle: 2 Beta = 0.16469 Ralpha 0.193 0.212 0.126 0.749 0.439 0.045 0.110 0.860 0.223 0.473 0.422 0.209 0.124 0.324 0.047 0.204 0.358 0.222 0.353 0.158 Nqual -0.170-0.167-0.422-0.387-0.082-0.360-0.180-0.384-0.008-0.248-0.405-0.170-0.190-0.128-0.365 0.069-0.171-0.257-0.204-0.077 Mabs 0.819 0.767 0.891 0.548 0.654 1.035 0.921 0.526 0.804 0.622 0.651 0.781 0.924 0.704 1.057 0.810 0.680 0.795 0.694 0.915 Phase annealing cycle: 3 Beta = 0.18299 Ralpha 0.219 0.190 0.117 0.630 0.363 0.049 0.099 0.971 0.232 0.464 0.369 0.220 0.115 0.326 0.048 0.195 0.329 0.196 0.318 0.184 Nqual -0.200-0.194-0.365-0.382-0.115-0.450-0.134-0.390-0.085-0.244-0.397-0.045-0.123-0.096-0.436-0.097-0.218-0.169-0.151-0.139 Mabs 0.773 0.788 0.927 0.576 0.687 1.037 0.922 0.507 0.789 0.624 0.675 0.779 0.936 0.695 1.034 0.822 0.689 0.827 0.708 0.882 Phase annealing cycle: 4 Beta = 0.20332 Ralpha 0.171 0.228 0.117 0.435 0.421 0.055 0.110 0.740 0.209 0.430 0.368 0.186 0.097 0.370 0.044 0.206 0.292 0.180 0.242 0.171 Nqual -0.322-0.218-0.306-0.311-0.179-0.535-0.173-0.381-0.259-0.244-0.342 0.008-0.127-0.083-0.445-0.068-0.154-0.218-0.296-0.112 Mabs 0.807 0.767 0.958 0.646 0.661 1.053 0.932 0.553 0.815 0.637 0.675 0.814 0.960 0.670 1.052 0.819 0.716 0.837 0.767 0.906 Phase annealing cycle: 5 Beta = 0.22591 Ralpha 0.139 0.239 0.111 0.365 0.374 0.050 0.109 0.662 0.199 0.376 0.324 0.172 0.097 0.313 0.048 0.178 0.285 0.162 0.237 0.142 Nqual -0.230-0.362-0.319-0.218-0.137-0.401-0.184-0.181-0.312-0.245-0.267-0.067-0.090-0.018-0.458-0.123-0.271-0.123-0.331-0.134 Mabs 0.847 0.760 0.977 0.682 0.686 1.072 0.935 0.570 0.821 0.660 0.695 0.831 0.967 0.708 1.070 0.845 0.716 0.859 0.784 0.936 Phase annealing cycle: 6 Beta = 0.25101 Ralpha 0.162 0.230 0.099 0.274 0.390 0.051 0.098 0.594 0.174 0.383 0.316 0.199 0.109 0.275 0.046 0.176 0.311 0.150 0.271 0.121 Nqual -0.099-0.410-0.324-0.250-0.294-0.439-0.173-0.214-0.303-0.406-0.266-0.197-0.204-0.066-0.461 0.069-0.205-0.350-0.341-0.219 Mabs 0.832 0.767 0.975 0.730 0.676 1.047 0.949 0.587 0.832 0.658 0.696 0.802 0.950 0.746 1.063 0.850 0.701 0.852 0.757 0.934 Phase annealing cycle: 7 Beta = 0.27890 Ralpha 0.180 0.214 0.114 0.222 0.480 0.046 0.093 0.615 0.170 0.383 0.317 0.178 0.108 0.212 0.044 0.174 0.271 0.152 0.239 0.106 Nqual -0.258-0.457-0.382-0.166-0.310-0.445-0.143-0.301-0.375-0.354-0.348-0.102-0.207-0.313-0.415 0.039-0.246-0.291-0.361-0.075 Mabs 0.819 0.790 0.953 0.774 0.634 1.066 0.965 0.586 0.848 0.661 0.691 0.822 0.969 0.792 1.058 0.833 0.721 0.832 0.782 0.963 Phase annealing cycle: 8 Beta = 0.30989 Ralpha 0.153 0.215 0.098 0.223 0.298 0.047 0.102 0.565 0.172 0.348 0.272 0.170 0.107 0.217 0.055 0.176 0.264 0.156 0.227 0.109 Nqual -0.242-0.422-0.391-0.289-0.390-0.429-0.193-0.399-0.267-0.310-0.125-0.196-0.211-0.226-0.457 0.013-0.286-0.287-0.302-0.261 Mabs 0.825 0.801 0.983 0.778 0.712 1.070 0.961 0.597 0.852 0.682 0.729 0.850 0.960 0.803 1.043 0.839 0.728 0.842 0.800 0.974 Phase annealing cycle: 9 Beta = 0.34433 Ralpha 0.137 0.196 0.111 0.201 0.338 0.049 0.114 0.540 0.167 0.333 0.310 0.178 0.104 0.219 0.047 0.179 0.290 0.156 0.218 0.119 Nqual -0.305-0.356-0.270-0.302-0.386-0.418-0.211-0.411-0.352-0.314-0.153-0.109-0.208-0.196-0.448-0.063-0.267-0.208-0.338-0.165 Mabs 0.836 0.838 0.960 0.790 0.698 1.064 0.950 0.604 0.845 0.692 0.697 0.830 0.961 0.795 1.070 0.836 0.716 0.841 0.806 0.953 Phase annealing cycle: 10 Beta = 0.38259 Ralpha 0.136 0.179 0.102 0.187 0.294 0.055 0.116 0.527 0.163 0.307 0.299 0.161 0.097 0.217 0.052 0.163 0.297 0.153 0.225 0.108 Nqual -0.277-0.373-0.328-0.280-0.472-0.424-0.265-0.439-0.310-0.228-0.323-0.229-0.197-0.141-0.435-0.108-0.265-0.141-0.313-0.230 Mabs 0.845 0.892 0.972 0.806 0.719 1.065 0.945 0.610 0.861 0.710 0.703 0.846 0.971 0.804 1.067 0.850 0.709 0.863 0.805 0.973 Phase refinement cycle: 1 Ralpha 0.728 0.469 0.399 1.130 1.700 0.254 0.392 2.868 0.785 1.476 1.506 0.828 0.394 0.843 0.254 0.815 1.680 0.738 0.908 0.418 Nqual 0.006-0.273-0.261-0.136-0.350-0.292-0.230-0.309-0.091-0.112-0.245-0.095-0.180-0.105-0.284-0.030-0.060-0.085-0.202-0.153 Mabs 0.552 0.635 0.659 0.483 0.423 0.722 0.660 0.352 0.541 0.443 0.441 0.532 0.663 0.529 0.722 0.534 0.425 0.551 0.520 0.652 Phase refinement cycle: 2 Ralpha 0.146 0.072 0.112 0.232 0.364 0.065 0.105 0.716 0.164 0.281 0.259 0.183 0.117 0.182 0.065 0.172 0.284 0.161 0.202 0.117 Nqual 0.100-0.534-0.352-0.204-0.299-0.521-0.391-0.314-0.016 0.130-0.164 0.098-0.309-0.051-0.522 0.061 0.028-0.138-0.195-0.301 Mabs 0.890 1.090 1.006 0.790 0.681 1.117 1.014 0.555 0.883 0.753 0.780 0.862 1.012 0.863 1.116 0.871 0.715 0.876 0.853 1.011 Try Ralpha Nqual Sigma-1 M(abs) CFOM Seminvariants 1720229. 0.177 0.098 0.698 0.836 0.405 ++--- --+-+ ++-+ 212537. 0.068 -0.550 0.850 1.046 0.068 ++-+- -++-+ +--- 1062685. 0.112 -0.314 0.818 0.972 0.116 ++-+- ----+ +--- 1119121. 0.260 -0.234 -0.262 0.758 0.281 --+++ -+--- +++- 1401301. 0.400 -0.344 0.638 0.666 0.401 ++-+- --+-+ -+-- 715049. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 1478093. 0.107 -0.418 0.818 0.965 0.107 ++-+- ----+ +--- 1099009. 0.673 -0.350 -0.415 0.567 0.674 -+--+ -+-+- +++- 1300741. 0.195 -0.117 0.233 0.826 0.264 +++-- ++--+ -+-- 212249. 0.269 0.209 0.868 0.788 0.616 -+--+ --+-+ +-+- 1061245. 0.270 -0.078 0.675 0.793 0.361 ++--- -++-+ ++-- 1111921. 0.193 0.031 0.620 0.837 0.362 +++-- -++-+ -+-- 1365301. 0.114 -0.372 0.848 0.970 0.114 ++-+- ----+ +-+- 535049. 0.198 -0.034 0.313 0.836 0.318 +++-- +-+-+ -+-- 578093. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 793313. 0.195 0.123 0.313 0.834 0.447 +++-- +-+-+ -+-- 1869413. 0.306 -0.193 0.288 0.706 0.341 +++-- +++-+ -+-+ 958457. 0.199 -0.167 0.233 0.825 0.244 +++-- ++--+ -+-- 597981. 0.207 -0.203 -0.529 0.830 0.239 ++-+- +++-- ---- 892753. 0.112 -0.393 0.818 0.968 0.112 ++-+- ----+ +--- 269461. 0.534 -0.004 0.629 0.604 0.676 --+++ -++-+ -+++ 1347305. 0.192 -0.176 0.256 0.818 0.233 +++-- +---+ -+-+ 445069. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 128193. 0.302 -0.230 0.282 0.714 0.325 ----+ ++--+ --+- 640965. 0.197 -0.033 0.289 0.836 0.317 +++-- +++-+ -+-- 1107673. 0.361 -0.114 0.696 0.689 0.432 -+-++ ---++ +--- 1344061. 0.061 -0.522 0.850 1.066 0.061 ++-+- -++-+ +--- 428849. 0.272 -0.128 0.729 0.757 0.335 --+++ --+-+ ++-+ 47093. 0.111 -0.323 0.848 0.976 0.115 ++-+- ----+ +-+- 235465. 0.285 -0.397 0.629 0.736 0.285 --+++ -++-+ -+++ 1177325. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 1692321. 0.241 -0.057 0.680 0.792 0.345 --+++ -+--+ +++- 2031541. 0.112 -0.393 0.818 0.962 0.112 ++-+- ----+ +--- 643153. 0.365 -0.181 0.743 0.693 0.405 ----+ -++-+ +--- 732177. 0.258 -0.114 0.874 0.761 0.329 ++-+- --+-+ +--- 456877. 0.195 -0.005 0.289 0.839 0.336 +++-- +++-+ -+-- 1824157. 0.252 -0.010 0.374 0.802 0.389 -+++- ++--+ +++- 1527209. 0.172 0.113 0.699 0.842 0.415 ++--- --+-+ ++-- 1507325. 0.106 -0.355 0.819 0.966 0.107 ++-+- ----+ +--- 486521. 0.110 -0.381 0.848 0.975 0.110 ++-+- ----+ +-+- 2040077. 0.198 -0.107 0.233 0.825 0.272 +++-- ++--+ -+-- 1118613. 0.200 -0.119 0.289 0.824 0.268 +++-- +++-+ -+-- 1414593. 0.295 -0.020 0.418 0.731 0.425 +++-- +---+ --+- 301465. 0.221 -0.325 0.675 0.782 0.224 ++--- -++-+ ++-- 1563733. 0.067 -0.584 0.850 1.065 0.067 ++-+- -++-+ +--- 2076861. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 781509. 0.070 -0.557 0.850 1.061 0.070 ++-+- -++-+ +--- 936165. 0.112 -0.374 0.848 0.972 0.112 ++-+- ----+ +-+- 1235805. 0.112 -0.364 0.848 0.975 0.112 ++-+- ----+ +-+- 194177. 0.349 0.004 0.347 0.704 0.496 +-+-- +---+ --+- 1590437. 0.331 -0.059 0.843 0.718 0.434 -+--+ -++-+ +-++ 479737. 0.174 0.089 0.699 0.842 0.394 ++--- --+-+ ++-- 660121. 0.067 -0.584 0.850 1.065 0.067 ++-+- -++-+ +--- 247161. 0.115 -0.391 0.848 0.965 0.115 ++-+- ----+ +-+- 823637. 0.189 -0.197 0.233 0.827 0.223 +++-- ++--+ -+-- 679001. 0.234 0.029 0.262 0.798 0.401 ++--- +-+-+ -+-+ 1249733. 0.113 -0.380 0.848 0.968 0.113 ++-+- ----+ +-+- 669377. 0.191 -0.218 0.233 0.824 0.217 +++-- ++--+ -+-- 420405. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 626189. 0.113 -0.397 0.818 0.967 0.113 ++-+- ----+ +--- 518601. 0.196 -0.076 0.289 0.826 0.288 +++-- +++-+ -+-- 1660729. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 1716557. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 4873. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 64269. 0.229 -0.301 0.650 0.778 0.235 ++--- -+--+ +++- 1648665. 0.196 -0.029 0.620 0.836 0.319 +++-- -++-+ -+-- 1083705. 0.198 -0.031 0.289 0.836 0.320 +++-- +++-+ -+-- 64521. 0.265 -0.233 0.699 0.747 0.287 ++--- --+-+ ++-- 1173993. 0.199 -0.204 -0.525 0.836 0.230 +++-- +---- --+- 1606725. 0.119 -0.357 0.848 0.966 0.119 ++-+- ----+ +-+- 667933. 0.187 -0.134 0.644 0.821 0.247 +++-- --+-+ -+-- 713993. 0.116 -0.396 0.848 0.970 0.116 ++-+- ----+ +-+- 357665. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 2086849. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 384493. 0.113 -0.367 0.848 0.971 0.113 ++-+- ----+ +-+- 1613025. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 1939549. 0.110 -0.362 0.874 0.957 0.111 ++-+- --+-+ +--- 843341. 0.104 -0.336 0.904 0.969 0.106 ++-+- --+-+ +-+- 329733. 0.107 -0.382 0.818 0.973 0.107 ++-+- ----+ +--- 71533. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 489337. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 855337. 0.236 -0.212 0.650 0.780 0.265 ++--- -+--+ +++- 249433. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 349533. 0.234 -0.351 0.675 0.780 0.235 ++--- -++-+ ++-- 1247165. 0.276 -0.219 0.730 0.730 0.302 --+++ ----+ --+- 1375061. 0.195 0.021 0.313 0.836 0.355 +++-- +-+-+ -+-- 1156477. 0.068 -0.563 0.850 1.048 0.068 ++-+- -++-+ +--- 873397. 0.231 -0.014 0.650 0.804 0.365 +++-- -++-+ -++- 2068153. 0.112 -0.405 0.818 0.964 0.112 ++-+- ----+ +--- 613605. 0.114 -0.374 0.818 0.963 0.114 ++-+- ----+ +--- 642205. 0.114 -0.371 0.848 0.970 0.114 ++-+- ----+ +-+- 970873. 0.115 -0.391 0.848 0.966 0.115 ++-+- ----+ +-+- 882209. 0.065 -0.581 0.850 1.065 0.065 ++-+- -++-+ +--- 1821461. 0.065 -0.571 0.850 1.063 0.065 ++-+- -++-+ +--- 1748585. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 294541. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 1862517. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 1350605. 0.061 -0.522 0.850 1.066 0.061 ++-+- -++-+ +--- 1140053. 0.214 0.041 -0.599 0.815 0.392 --+++ +---- ++-- 403969. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 1339085. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 647441. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 1659701. 0.111 -0.385 0.818 0.970 0.111 ++-+- ----+ +--- 645281. 0.194 -0.227 0.233 0.823 0.217 +++-- ++--+ -+-- 426181. 0.061 -0.523 0.850 1.067 0.061* ++-+- -++-+ +--- 993657. 0.067 -0.584 0.850 1.065 0.067 ++-+- -++-+ +--- 1369829. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 153765. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 1129253. 0.111 -0.370 0.848 0.975 0.111 ++-+- ----+ +-+- 843825. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 33753. 0.067 -0.584 0.850 1.065 0.067 ++-+- -++-+ +--- 1170801. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 314077. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 825533. 0.193 -0.166 0.233 0.829 0.239 +++-- ++--+ -+-- 175833. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 1675853. 0.112 -0.406 0.818 0.964 0.112 ++-+- ----+ +--- 823989. 0.115 -0.392 0.848 0.965 0.115 ++-+- ----+ +-+- 1401509. 0.107 -0.385 0.818 0.971 0.107 ++-+- ----+ +--- 2050437. 0.111 -0.369 0.848 0.975 0.111 ++-+- ----+ +-+- 176729. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 58733. 0.192 -0.128 0.233 0.829 0.256 +++-- ++--+ -+-- 460057. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 499477. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 1645581. 0.111 -0.362 0.874 0.957 0.111 ++-+- --+-+ +--- 821513. 0.106 -0.314 0.848 0.971 0.111 ++-+- ----+ +-+- 2033245. 0.108 -0.400 0.818 0.969 0.108 ++-+- ----+ +--- 1247701. 0.115 -0.392 0.848 0.965 0.115 ++-+- ----+ +-+- 940473. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 1432549. 0.067 -0.584 0.850 1.065 0.067 ++-+- -++-+ +--- 674829. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 467545. 0.065 -0.570 0.850 1.063 0.065 ++-+- -++-+ +--- 1202865. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 711497. 0.110 -0.358 0.874 0.960 0.110 ++-+- --+-+ +--- 1460333. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 856741. 0.111 -0.362 0.874 0.958 0.111 ++-+- --+-+ +--- 689365. 0.108 -0.370 0.818 0.965 0.108 ++-+- ----+ +--- 1349673. 0.106 -0.316 0.848 0.972 0.110 ++-+- ----+ +-+- 355453. 0.106 -0.420 0.818 0.966 0.106 ++-+- ----+ +--- 1886649. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 827333. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 1028881. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 1686269. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 1208177. 0.065 -0.571 0.850 1.063 0.065 ++-+- -++-+ +--- 1699541. 0.067 -0.583 0.850 1.064 0.067 ++-+- -++-+ +--- 1202101. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 1527693. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 2095305. 0.067 -0.584 0.850 1.065 0.067 ++-+- -++-+ +--- 922673. 0.061 -0.522 0.850 1.066 0.061 ++-+- -++-+ +--- 1054717. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 224657. 0.110 -0.361 0.874 0.958 0.111 ++-+- --+-+ +--- 1123285. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 1423173. 0.068 -0.580 0.850 1.059 0.068 ++-+- -++-+ +--- 1723033. 0.070 -0.557 0.850 1.060 0.070 ++-+- -++-+ +--- 1290333. 0.107 -0.402 0.818 0.969 0.107 ++-+- ----+ +--- 206129. 0.107 -0.382 0.818 0.970 0.107 ++-+- ----+ +--- 1422121. 0.111 -0.372 0.848 0.974 0.111 ++-+- ----+ +-+- 1730329. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 1895069. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 1813221. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 1363289. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 1650105. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 2075217. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 1966405. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 1218145. 0.107 -0.411 0.818 0.965 0.107 ++-+- ----+ +--- 737537. 0.065 -0.580 0.850 1.065 0.065 ++-+- -++-+ +--- 537577. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 683809. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 227417. 0.067 -0.584 0.850 1.065 0.067 ++-+- -++-+ +--- 1623337. 0.107 -0.412 0.818 0.965 0.107 ++-+- ----+ +--- 1661209. 0.068 -0.580 0.850 1.059 0.068 ++-+- -++-+ +--- 497033. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- 1699321. 0.107 -0.384 0.818 0.975 0.107 ++-+- ----+ +--- 1370713. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 1178725. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 752177. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 1051925. 0.111 -0.374 0.848 0.974 0.111 ++-+- ----+ +-+- 865701. 0.067 -0.584 0.850 1.064 0.067 ++-+- -++-+ +--- 1132301. 0.107 -0.419 0.818 0.965 0.107 ++-+- ----+ +--- 736017. 0.067 -0.584 0.850 1.065 0.067 ++-+- -++-+ +--- 1525245. 0.068 -0.579 0.850 1.059 0.068 ++-+- -++-+ +--- CFOM Range Frequency 0.000 - 0.020 0 0.020 - 0.040 0 0.040 - 0.060 0 0.060 - 0.080 81 0.080 - 0.100 0 0.100 - 0.120 66 0.120 - 0.140 0 0.140 - 0.160 0 0.160 - 0.180 0 0.180 - 0.200 0 0.200 - 0.220 5 0.220 - 0.240 17 0.240 - 0.260 6 0.260 - 0.280 10 0.280 - 0.300 8 0.300 - 0.320 8 0.320 - 0.340 6 0.340 - 0.360 7 0.360 - 0.380 7 0.380 - 0.400 7 0.400 - 0.420 5 0.420 - 0.440 8 0.440 - 0.460 2 0.460 - 0.480 2 0.480 - 0.500 1 0.500 - 0.520 1 0.520 - 0.540 0 0.540 - 0.560 1 0.560 - 0.580 0 0.580 - 0.600 2 0.600 - 9.999 6 256. Phase sets refined - best is code 426181. with CFOM = 0.0611 2.3 seconds CPU time Tangent expanded to 747 out of 747 E greater than 1.200 Highest memory used = 3192 / 13834 0.1 seconds CPU time FMAP and GRID set by program FMAP 8 3 25 GRID -0.568 -2 -2 0.568 2 2 E-Fourier for 2007src0260 in P4(1)2(1)2 Maximum = 216.77, minimum = -51.15 highest memory used = 8936 / 12241 0.0 seconds CPU time Heavy-atom assignments: x y z s.o.f. Height CL1 0.6702 0.5016 0.0504 1.0000 216.8 CL2 0.9225 0.6323 0.0709 1.0000 214.5 CL3 0.9090 0.5104 0.0112 1.0000 203.5 CL4 0.6434 0.9173 0.0258 1.0000 192.5 P5 0.3444 0.0143 0.0064 1.0000 177.0 Peak list optimization RE = 0.214 for 21 surviving atoms and 747 E-values Highest memory used = 1751 / 6723 0.1 seconds CPU time E-Fourier for 2007src0260 in P4(1)2(1)2 Maximum = 221.26, minimum = -53.64 highest memory used = 8976 / 12241 0.0 seconds CPU time Peak list optimization RE = 0.200 for 28 surviving atoms and 747 E-values Highest memory used = 1791 / 6723 0.1 seconds CPU time E-Fourier for 2007src0260 in P4(1)2(1)2 Maximum = 221.24, minimum = -41.77 highest memory used = 8976 / 12241 0.1 seconds CPU time Molecule 1 scale 0.592 inches = 1.504 cm per Angstrom 13 10 6 35 12 8 37 5 19 11 CL4 36 31 CL2 4 17 25 CL2 30 36 33 1 CL4 7 26 16 14 33 24 29 CL3 24 23 27 CL1 CL1 27 15 3 P5 28 32 2 34 P5 20 21 22 18 9 29 P5 Atom Peak x y z SOF Height Distances and Angles CL1 0. 0.6702 0.5016 0.0504 1.000 4.36 0 CL2 2.814 0 CL3 2.796 59.3 0 1 3.227 29.9 29.8 0 2 1.641 110.2 117.1 114.2 0 3 1.633 87.7 28.4 58.0 109.4 0 7 1.650 28.6 86.7 58.1 106.9 114.8 0 9 3.113 152.3 143.8 163.8 51.2 116.6 128.5 0 15 1.642 133.0 129.3 142.4 103.3 111.4 110.3 53.0 0 18 2.513 141.2 124.6 137.7 31.1 102.9 133.4 26.1 77.9 0 20 2.642 159.4 131.4 159.0 81.5 104.7 133.0 30.9 27.0 52.7 0 21 1.781 134.1 82.7 107.5 63.0 57.7 159.1 61.3 90.3 45.6 66.0 0 22 2.741 124.8 68.9 95.9 76.6 42.7 153.3 74.9 94.0 61.0 73.5 15.4 0 24 1.108 50.4 53.1 47.8 160.2 70.1 58.5 147.8 94.9 167.6 118.1 125.4 0 26 2.684 24.6 63.5 36.7 86.6 88.9 42.0 135.1 152.1 117.3 164.3 117.2 0 27 1.119 107.1 88.7 102.0 141.9 79.5 101.8 91.3 42.1 111.5 60.5 96.0 0 28 2.613 140.4 152.1 165.2 78.4 127.1 112.0 30.9 25.9 57.0 22.7 84.9 9 33 2.759 75.9 74.9 76.4 168.0 80.7 73.2 119.0 66.1 142.1 89.7 120.7 CL2 0. 0.9225 0.6323 0.0709 1.000 3.74 0 CL1 2.814 0 CL3 2.776 60.0 0 1 1.609 89.4 30.1 0 3 3.196 30.7 29.3 58.9 0 4 1.740 118.3 123.5 106.0 126.2 0 5 1.824 123.7 115.2 105.6 124.6 109.1 0 7 1.577 30.1 88.7 118.7 59.9 111.6 105.5 0 8 2.760 115.9 138.9 133.8 133.9 95.3 28.2 88.9 0 11 2.770 142.0 125.2 98.8 141.6 23.9 89.8 132.5 84.4 0 12 2.790 120.2 92.7 82.3 108.4 120.9 23.7 114.4 51.8 97.7 0 16 2.734 92.4 116.0 112.3 106.2 26.3 127.3 87.1 104.8 50.2 145.1 0 24 2.273 22.0 53.2 82.8 28.9 140.4 105.2 38.4 106.2 163.9 98.4 114.4 0 25 1.098 116.1 79.3 56.8 97.8 49.2 117.4 136.6 126.7 46.3 107.8 62.4 0 26 1.177 71.6 83.2 86.2 75.4 51.2 159.9 81.8 136.9 72.1 163.3 33.1 0 30 2.059 116.2 91.9 72.0 105.5 34.0 120.1 128.7 120.6 36.3 116.8 47.5 0 31 2.078 103.9 46.2 25.8 74.2 115.4 79.8 127.7 108.0 98.9 56.6 131.5 0 35 2.435 139.1 139.8 120.3 151.5 82.2 27.5 111.4 23.1 65.7 47.6 100.0 0 37 2.159 149.1 107.1 84.9 131.3 92.4 32.0 137.5 53.2 68.9 28.9 117.9 10 36 3.154 69.1 73.3 88.7 68.5 163.2 57.7 66.5 68.2 147.4 51.7 152.3 CL3 0. 0.9090 0.5104 0.0112 1.000 2.79 0 CL1 2.796 0 CL2 2.776 60.7 0 CL4 2.007 120.8 116.8 0 P5 1.997 126.7 129.9 100.2 0 1 1.601 90.2 30.2 108.7 108.4 0 3 1.565 29.7 90.4 109.8 108.4 119.7 0 7 3.163 31.4 29.9 119.2 140.5 60.1 61.0 0 21 3.119 34.5 92.1 121.3 96.5 118.4 14.6 65.0 0 22 3.134 54.7 112.7 110.6 81.1 137.1 27.8 85.7 20.8 0 23 1.455 127.4 151.3 34.6 70.9 135.1 101.6 145.7 106.1 87.8 0 24 2.307 22.6 52.1 103.7 149.3 81.8 45.0 24.4 54.5 72.7 122.5 0 25 2.790 76.1 22.7 125.7 107.7 18.2 104.2 49.0 100.9 119.0 153.0 73.0 0 26 2.884 56.4 23.9 140.6 110.9 39.2 83.2 34.8 79.5 98.0 174.1 58.8 0 27 2.987 22.0 70.2 98.9 138.1 100.1 29.7 41.3 42.2 57.3 108.8 18.3 0 31 2.010 106.4 48.3 81.4 112.4 27.4 134.9 75.3 140.0 160.8 109.1 90.2 CL4 0. 0.9173 0.6434 -0.0258 1.000 2.48 0 CL3 2.007 0 23 1.157 45.6 0 33 1.441 88.1 94.2 0 36 1.191 122.6 140.0 46.2 6 24 3.174 105.9 102.5 18.7 38.4 7 27 3.228 89.8 83.6 16.7 56.6 19.4 P5 0. 1.0143 0.3444 -0.0064 1.000 1.82 0 CL3 1.997 0 23 2.050 42.1 0 32 2.220 149.7 163.0 0 34 1.814 85.3 115.6 81.1 8 29 2.875 109.1 76.9 86.2 165.6 1 70. 1.0008 0.5764 0.0395 1.000 2.88 0 CL1 3.227 0 CL2 1.609 60.7 0 CL3 1.601 60.0 119.7 0 25 1.363 87.2 42.4 140.3 0 26 1.929 56.2 37.5 109.2 32.2 0 31 0.942 127.9 106.1 101.2 117.3 141.4 2 65. 0.6427 0.3545 0.0702 1.000 4.51 0 CL1 1.641 0 18 1.395 111.5 0 21 1.792 62.3 67.3 3 61. 0.7517 0.4646 0.0173 1.000 3.50 0 CL1 1.633 0 CL2 3.196 61.6 0 CL3 1.565 121.9 60.3 0 21 1.652 65.7 119.0 151.7 0 22 1.896 101.7 149.4 129.5 36.2 0 24 1.632 39.7 42.3 92.4 103.9 137.7 0 27 1.804 37.6 77.7 124.8 79.0 105.1 36.1 4 56. 1.0135 0.5568 0.1024 1.000 3.64 0 CL2 1.740 0 11 1.375 125.2 0 16 1.404 120.5 114.3 0 25 1.319 39.1 106.8 126.3 0 26 1.360 42.4 152.4 84.8 46.7 0 30 1.152 88.4 81.0 104.5 49.5 74.8 5 50. 0.9494 0.8240 0.0713 1.000 3.93 0 CL2 1.824 0 8 1.440 115.0 0 12 1.339 123.1 121.4 0 35 1.175 106.6 47.9 115.9 0 37 1.145 90.3 122.0 66.9 75.7 6 49. 0.8976 1.0461 0.0985 1.000 4.89 0 8 1.417 0 13 1.388 116.5 7 49. 0.7572 0.6103 0.0740 1.000 4.47 0 CL1 1.650 0 CL2 1.577 121.3 0 CL3 3.163 61.9 61.4 0 24 1.428 41.4 98.2 41.9 0 26 1.828 100.9 39.6 64.2 105.2 8 49. 0.8921 0.8958 0.0985 1.000 4.67 0 CL2 2.760 0 5 1.440 36.8 0 6 1.417 153.5 117.1 0 35 1.089 61.4 53.2 110.3 9 48. 0.3856 0.3430 0.0628 1.000 5.53 0 CL1 3.113 0 18 1.398 52.2 0 20 1.598 58.1 99.4 0 28 1.600 57.0 109.3 37.7 0 29 1.498 96.9 46.1 122.7 152.2 10 47. 1.0021 1.0429 0.0460 1.000 3.72 0 12 1.382 0 13 1.343 117.0 11 46. 1.1443 0.5998 0.1132 1.000 3.27 0 CL2 2.770 0 4 1.375 30.9 0 19 1.419 155.2 124.6 0 30 1.650 47.7 43.6 123.5 12 46. 1.0016 0.8962 0.0467 1.000 3.49 0 CL2 2.790 0 5 1.339 33.2 0 10 1.382 154.1 121.7 0 37 1.379 49.2 49.8 127.9 13 46. 0.9449 1.1102 0.0709 1.000 4.41 0 6 1.388 0 10 1.343 125.7 14 44. 1.0158 0.3730 0.1471 1.000 3.93 0 16 1.467 0 17 1.368 115.8 15 41. 0.5091 0.5615 0.0439 1.000 5.08 0 CL1 1.642 0 20 1.396 120.7 0 27 1.105 42.7 134.4 0 28 1.342 121.9 44.3 164.4 16 40. 0.9512 0.4480 0.1203 1.000 3.97 0 CL2 2.734 0 4 1.404 33.3 0 14 1.467 159.8 126.5 0 26 1.863 20.2 46.6 159.7 0 30 2.026 48.5 33.4 115.8 46.2 17 38. 1.1439 0.4245 0.1571 1.000 3.58 0 14 1.368 0 19 1.485 120.5 18 35. 0.5211 0.2843 0.0597 1.000 4.79 0 CL1 2.513 0 2 1.395 37.4 0 9 1.398 101.7 122.2 0 21 1.796 45.1 67.0 118.0 0 29 1.137 162.3 159.3 71.6 122.8 19 32. 1.2119 0.5459 0.1406 1.000 3.26 0 11 1.419 0 17 1.485 117.8 20 32. 0.3978 0.4681 0.0374 1.000 5.33 0 CL1 2.642 0 9 1.598 91.0 0 15 1.396 32.3 112.8 0 28 1.034 77.1 71.2 65.1 21 28. 0.6316 0.3461 0.0280 1.000 3.98 0 CL1 1.781 0 CL3 3.119 62.8 0 2 1.792 54.7 99.0 0 3 1.652 56.6 13.8 101.7 0 18 1.796 89.3 144.7 45.8 145.1 0 22 1.127 139.8 80.3 154.5 83.8 130.8 22 28. 0.6544 0.2988 0.0041 1.000 3.48 0 CL1 2.741 0 CL3 3.134 56.4 0 3 1.896 35.7 22.7 0 21 1.127 24.8 78.9 60.0 23 26. 0.9118 0.5213 -0.0230 1.000 2.34 0 CL3 1.455 0 CL4 1.157 99.8 0 P5 2.050 67.0 145.2 0 33 1.914 91.4 48.7 154.2 24 26. 0.7242 0.5977 0.0412 1.000 4.16 0 CL1 1.108 0 CL2 2.273 107.6 0 CL3 2.307 104.3 74.6 0 3 1.632 70.2 108.8 42.7 0 7 1.428 80.1 43.3 113.6 129.2 0 27 1.077 61.6 163.1 119.4 80.7 119.9 9 33 1.866 134.6 111.5 107.6 116.0 114.2 74.7 25 25. 1.0174 0.5647 0.0713 1.000 3.21 0 CL2 1.098 0 CL3 2.790 77.9 0 1 1.363 80.9 21.5 0 4 1.319 91.7 152.9 171.7 0 26 1.062 66.0 84.2 104.7 68.7 0 30 1.045 147.8 126.4 129.9 56.9 93.4 0 31 1.981 79.3 46.1 25.0 156.6 124.8 132.3 26 25. 0.9236 0.5132 0.0792 1.000 3.65 0 CL1 2.684 0 CL2 1.177 83.9 0 CL3 2.884 60.1 72.9 0 1 1.929 87.1 56.3 31.6 0 4 1.360 153.5 86.3 138.9 107.6 0 7 1.828 37.1 58.6 81.0 93.6 118.1 0 16 1.863 122.4 126.7 159.4 149.8 48.6 113.4 0 25 1.062 127.9 58.5 74.3 43.1 64.6 116.6 109.2 0 30 1.534 159.6 98.0 100.9 77.4 46.4 155.3 72.5 42.9 27 24. 0.6164 0.5776 0.0340 1.000 4.50 0 CL1 1.119 0 CL3 2.987 69.3 0 3 1.804 62.9 25.5 0 15 1.105 95.2 159.6 135.5 0 24 1.077 60.6 42.3 63.2 141.0 9 33 1.893 130.9 84.4 106.9 116.0 72.0 28 24. 0.3962 0.5120 0.0598 1.000 5.71 0 CL1 2.613 0 9 1.600 92.1 0 15 1.342 32.2 115.8 0 20 1.034 80.2 71.1 70.6 29 23. 0.4398 0.1961 0.0566 1.000 4.96 0 9 1.498 0 18 1.137 62.3 30 23. 1.0840 0.4983 0.0844 1.000 2.99 0 CL2 2.059 0 4 1.152 57.6 0 11 1.650 96.0 55.4 0 16 2.026 84.0 42.1 78.1 0 25 1.045 16.5 73.6 104.5 99.6 0 26 1.534 34.5 58.8 113.0 61.3 43.7 31 23. 1.0396 0.6574 0.0297 1.000 2.70 0 CL2 2.078 0 CL3 2.010 85.6 0 1 0.942 48.1 51.4 0 25 1.981 31.3 88.7 37.7 32 22. 1.1686 0.1686 0.0000 0.500 0.94 0 P5 2.220 5 P5 2.220 172.6 33 22. 0.7662 0.6630 -0.0225 1.000 3.22 0 CL4 1.441 0 23 1.914 37.1 0 36 1.058 54.3 91.2 6 24 1.866 146.9 145.0 104.1 7 27 1.893 150.6 120.5 136.5 33.3 34 22. 0.9175 0.2410 0.0226 1.000 2.47 0 P5 1.814 35 22. 0.9985 0.8518 0.0961 1.000 4.10 0 CL2 2.435 0 5 1.175 45.9 0 8 1.089 95.4 78.9 0 37 1.424 61.6 51.2 128.2 36 22. 0.8405 0.7431 -0.0283 1.000 2.94 0 CL4 1.191 0 33 1.058 79.5 37 22. 1.0690 0.8081 0.0680 1.000 3.34 0 CL2 2.159 0 5 1.145 57.6 0 12 1.379 101.8 63.3 0 35 1.424 82.9 53.1 99.1 Atom Code x y z Height Symmetry transformation CL1 1 0.5016 0.6702 -0.0504 4.02 0.0000+Y 0.0000+X 0.0000-Z CL2 2 0.6323 0.9225 -0.0709 3.58 0.0000+Y 0.0000+X 0.0000-Z CL4 3 0.6434 0.9173 0.0258 4.82 0.0000+Y 0.0000+X 0.0000-Z P5 4 0.3444 0.0143 0.0064 4.41 0.0000+Y -1.0000+X 0.0000-Z P5 5 1.3444 0.0143 0.0064 0.00 1.0000+Y -1.0000+X 0.0000-Z 24 6 0.5977 0.7242 -0.0412 3.81 0.0000+Y 0.0000+X 0.0000-Z 27 7 0.5776 0.6164 -0.0340 3.82 0.0000+Y 0.0000+X 0.0000-Z 29 8 1.1961 0.4398 -0.0566 0.50 1.0000+Y 0.0000+X 0.0000-Z 33 9 0.6630 0.7662 0.0225 4.45 0.0000+Y 0.0000+X 0.0000-Z 36 10 0.7431 0.8405 0.0283 4.29 0.0000+Y 0.0000+X 0.0000-Z 0.0 seconds CPU time +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + 2007src0260 finished at 22:27:49 Total CPU time: 3.7 secs + +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++