+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXS-97 - CRYSTAL STRUCTURE SOLUTION - WinGX VERSION + + Copyright(C) George M. Sheldrick 1986-97 Release 97-2 + + 2007src0607 started at 22:44:24 on 14 May 2007 + +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TITL 2007src0607 in Pbca CELL 0.71073 11.7560 15.6189 18.4464 90.000 90.000 90.000 ZERR 9.00 0.0004 0.0003 0.0006 0.000 0.000 0.000 LATT 1 SYMM 0.5-X, -Y, 0.5+Z SYMM -X, 0.5+Y, 0.5-Z SYMM 0.5+X, 0.5-Y, -Z SFAC C H N O F P UNIT 117 171 18 9 54 9 V = 3387.05 At vol = 16.4 F(000) = 1692.0 mu = 0.25 mm-1 Max single Patterson vector = 18.4 cell wt = 3278.45 rho = 1.607 OMIT 4.00 180.00 ESEL 1.200 5.000 0.005 0.700 0 INIT 13 16 0.80 0.20 0.20 PHAN 10 0.90 0.30 204 40 10 TREF 256 348 0.85 3 -0.32 HKLF 4 h k l F*F Sigma Why Rejected -5.00 -1.00 0.00 20.35 4.46 Observed but should be systematically absent 5.00 1.00 0.00 27.54 6.07 Observed but should be systematically absent -5.00 -1.00 0.00 26.46 5.12 Observed but should be systematically absent 5.00 1.00 0.00 20.84 4.77 Observed but should be systematically absent 5.00 -1.00 0.00 24.13 4.24 Observed but should be systematically absent -11.00 -1.00 0.00 124.49 16.42 Observed but should be systematically absent -11.00 1.00 0.00 104.11 14.19 Observed but should be systematically absent 11.00 -1.00 0.00 91.01 13.28 Observed but should be systematically absent -11.00 1.00 0.00 89.76 14.75 Observed but should be systematically absent 11.00 1.00 0.00 71.00 15.80 Observed but should be systematically absent 1.00 2.00 0.00 14.56 2.77 Observed but should be systematically absent 1.00 -2.00 0.00 18.37 2.52 Observed but should be systematically absent -1.00 -2.00 0.00 13.91 1.88 Observed but should be systematically absent 1.00 -2.00 0.00 11.53 2.08 Observed but should be systematically absent -1.00 -2.00 0.00 17.20 2.67 Observed but should be systematically absent -5.00 -2.00 0.00 35.43 4.87 Observed but should be systematically absent -5.00 -2.00 0.00 33.01 5.70 Observed but should be systematically absent 5.00 2.00 0.00 45.44 5.59 Observed but should be systematically absent -5.00 2.00 0.00 27.27 4.91 Observed but should be systematically absent 5.00 -2.00 0.00 39.42 5.81 Observed but should be systematically absent 5.00 2.00 0.00 35.71 5.15 Observed but should be systematically absent -5.00 2.00 0.00 30.49 5.92 Observed but should be systematically absent 1.00 -3.00 0.00 45.19 3.68 Observed but should be systematically absent 1.00 3.00 0.00 39.31 4.63 Observed but should be systematically absent -1.00 -3.00 0.00 46.47 3.20 Observed but should be systematically absent -1.00 -3.00 0.00 35.41 3.50 Observed but should be systematically absent 1.00 3.00 0.00 41.72 3.05 Observed but should be systematically absent 1.00 3.00 0.00 40.86 3.52 Observed but should be systematically absent -1.00 3.00 0.00 41.67 3.27 Observed but should be systematically absent -1.00 -3.00 0.00 53.18 4.94 Observed but should be systematically absent 1.00 -3.00 0.00 43.05 3.31 Observed but should be systematically absent -1.00 3.00 0.00 48.30 4.04 Observed but should be systematically absent 3.00 3.00 0.00 18.01 3.52 Observed but should be systematically absent 5.00 -3.00 0.00 58.67 7.56 Observed but should be systematically absent 5.00 3.00 0.00 47.75 6.10 Observed but should be systematically absent -5.00 -3.00 0.00 50.02 8.51 Observed but should be systematically absent -5.00 3.00 0.00 53.03 6.80 Observed but should be systematically absent -5.00 -3.00 0.00 48.47 5.81 Observed but should be systematically absent 5.00 3.00 0.00 52.34 6.07 Observed but should be systematically absent -5.00 3.00 0.00 38.81 5.43 Observed but should be systematically absent -5.00 -3.00 0.00 43.55 5.38 Observed but should be systematically absent 7.00 3.00 0.00 20.45 4.75 Observed but should be systematically absent -7.00 3.00 0.00 30.98 6.58 Observed but should be systematically absent -1.00 4.00 0.00 9.96 1.68 Observed but should be systematically absent 1.00 -4.00 0.00 8.88 1.93 Observed but should be systematically absent -1.00 -4.00 0.00 14.57 2.04 Observed but should be systematically absent -3.00 -4.00 0.00 316.93 12.82 Observed but should be systematically absent 3.00 4.00 0.00 299.93 16.47 Observed but should be systematically absent -3.00 -4.00 0.00 317.96 16.56 Observed but should be systematically absent 3.00 -4.00 0.00 328.05 20.90 Observed but should be systematically absent ** Etc. ** 44953 Reflections read, of which 2663 rejected Maximum h, k, l and 2-Theta = 15. 19. 23. 54.24 3728 Unique reflections, of which 3052 observed R(int) = 0.0793 R(sigma) = 0.0468 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) 6. 29. 72. 102. 144. 159. 121. 154. 223. 305. 439. 604. 619. N(measured) 6. 29. 73. 102. 145. 160. 123. 155. 224. 308. 446. 656. 1035. N(theory) 13. 29. 73. 102. 145. 160. 123. 155. 224. 308. 446. 656. 1035. 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 = 7840 / 18640 Observed E .GT. 1.200 1.300 1.400 1.500 1.600 1.700 1.800 1.900 2.000 2.100 Number 927 690 521 386 300 234 182 145 104 74 Centric Acentric 0kl h0l hk0 Rest Mean Abs(E*E-1) 0.968 0.736 0.951 0.869 1.002 0.760 0.6 seconds CPU time SUMMARY OF PARAMETERS FOR 2007src0607 in Pbca 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 13 nf 16 s+ 0.800 s- 0.200 wr 0.200 PHAN steps 10 cool 0.900 Boltz 0.300 ns 204 mtpr 40 mnqr 10 TREF np 256. nE 348 kapscal 0.850 ntan 3 wn -0.320 FMAP code 8 PLAN npeaks -34 del1 0.500 del2 1.500 MORE verbosity 1 TIME t 9999999. 204 Reflections and 3524. unique TPR for phase annealing 348 Phases refined using 15701. unique TPR 471 Reflections and 26273. unique TPR for R(alpha) 0.5 seconds CPU time 3999 Unique negative quartets found, 1596 used for phase refinement 0.4 seconds CPU time Highest memory used to derive phase relations = 6658 / 37106 ONE-PHASE SEMINVARIANTS h k l E P+ Phi 0 14 4 2.828 0.38 2 6 8 2.708 0.46 6 4 8 2.531 0.48 2 14 4 2.915 0.46 6 8 0 2.176 0.24 6 6 0 1.978 0.40 2 4 0 1.720 0.34 0 14 8 2.150 0.59 8 4 4 2.008 0.47 2 6 4 1.920 0.72 8 0 4 1.741 0.52 6 10 4 2.027 0.50 6 4 4 1.508 0.48 6 8 8 1.940 0.47 6 6 4 1.686 0.49 6 6 12 1.993 0.63 0 10 8 1.632 0.20 4 2 8 1.969 0.52 6 8 4 1.589 0.55 8 0 8 1.565 0.16 0 14 0 1.669 1.00 4 8 4 1.629 0.53 8 8 4 1.731 0.50 4 8 8 1.522 0.48 4 2 0 1.519 0.22 2 2 16 1.836 0.48 0 12 8 1.521 0.63 2 12 8 1.630 0.47 0 4 0 1.408 0.00 0 0 4 1.238 0.00 2 0 4 1.446 0.15 6 4 0 1.300 0.68 0 8 8 1.432 0.86 0 4 2 1.450 0.65 2 8 8 1.418 0.53 0 8 12 1.481 0.34 6 2 6 1.853 0.48 6 6 8 1.410 0.48 4 6 0 1.243 0.58 10 4 4 1.914 0.47 6 10 8 1.487 0.48 2 0 2 1.231 0.61 8 10 4 1.564 0.47 4 4 8 1.326 0.49 6 10 0 1.203 0.73 4 12 8 1.423 0.57 2 2 8 1.218 0.50 6 8 12 1.387 0.56 2 4 2 1.356 0.50 Expected value of Sigma-1 = 0.735 Following phases held constant with unit weights for the initial 4 weighted tangent cycles (before phase annealing): h k l E Phase/Comment 1 3 3 3.196 random phase 1 3 2 2.694 random phase 2 1 3 2.452 random phase 1 4 2 1.953 random phase 3 7 6 2.144 random phase 2 4 7 2.379 random phase 3 3 6 2.130 random phase 3 4 3 1.963 random phase 3 5 7 1.993 random phase 1 3 8 2.404 random phase 7 4 3 1.918 random phase 0 10 8 1.632 180 sigma-1 = 0.198 8 0 8 1.565 180 sigma-1 = 0.158 0 14 0 1.669 0 sigma-1 = 1.000 2 3 2 1.868 random phase 2 3 10 1.934 random phase 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 304 Unique NQR employed in phase annealing 128 Parallel refinements, highest memory = 8893 / 105445 0.1 seconds CPU time STRUCTURE SOLUTION for 2007src0607 in Pbca Phase annealing cycle: 1 Beta = 0.15173 Ralpha 1.058 0.428 0.562 0.305 0.358 0.141 0.282 0.769 0.144 0.139 0.132 0.405 0.294 0.302 0.133 0.451 0.350 0.149 0.147 0.132 Nqual 0.415-0.208-0.095-0.049-0.338-0.575 0.136 0.236-0.774-0.665-0.731-0.188-0.204 0.042-0.714 0.117 0.077-0.791-0.455-0.681 Mabs 0.489 0.680 0.602 0.781 0.727 1.433 0.789 0.546 1.481 1.439 1.426 0.699 0.769 0.790 1.417 0.671 0.716 1.510 1.382 1.408 Phase annealing cycle: 2 Beta = 0.16859 Ralpha 0.639 0.326 0.467 0.308 0.292 0.152 0.250 0.641 0.152 0.152 0.151 0.250 0.219 0.287 0.152 0.391 0.302 0.152 0.151 0.152 Nqual -0.053-0.298-0.121-0.053-0.352-0.797 0.301 0.206-0.797-0.797-0.783-0.582-0.186-0.210-0.797-0.069 0.059-0.797-0.790-0.797 Mabs 0.580 0.754 0.643 0.793 0.777 1.523 0.851 0.587 1.523 1.523 1.519 0.841 0.861 0.817 1.523 0.714 0.752 1.523 1.515 1.523 Phase annealing cycle: 3 Beta = 0.18732 Ralpha 0.373 0.328 0.380 0.302 0.275 0.152 0.232 0.508 0.152 0.152 0.152 0.143 0.224 0.283 0.152 0.374 0.331 0.152 0.152 0.152 Nqual -0.184-0.178-0.022 0.040-0.101-0.797 0.411 0.214-0.797-0.797-0.797-0.767-0.025-0.226-0.797-0.063 0.201-0.797-0.797-0.797 Mabs 0.690 0.753 0.698 0.782 0.796 1.523 0.879 0.635 1.523 1.523 1.523 1.388 0.887 0.819 1.523 0.732 0.737 1.523 1.523 1.523 Phase annealing cycle: 4 Beta = 0.20814 Ralpha 0.256 0.324 0.264 0.289 0.275 0.152 0.230 0.393 0.152 0.152 0.152 0.151 0.221 0.260 0.152 0.358 0.296 0.152 0.152 0.152 Nqual -0.581-0.258-0.110-0.011-0.315-0.797 0.498 0.306-0.797-0.797-0.797-0.783 0.069-0.200-0.797-0.374 0.212-0.797-0.797-0.797 Mabs 0.806 0.748 0.826 0.785 0.801 1.523 0.886 0.717 1.523 1.523 1.523 1.519 0.890 0.834 1.523 0.744 0.745 1.523 1.523 1.523 Phase annealing cycle: 5 Beta = 0.23126 Ralpha 0.235 0.321 0.219 0.302 0.231 0.152 0.227 0.235 0.152 0.152 0.152 0.152 0.219 0.263 0.152 0.326 0.290 0.152 0.152 0.152 Nqual -0.556-0.336-0.095-0.037-0.256-0.797 0.491 0.420-0.797-0.797-0.797-0.797 0.060-0.288-0.797-0.468 0.113-0.797-0.797-0.797 Mabs 0.843 0.754 0.893 0.793 0.835 1.523 0.892 0.878 1.523 1.523 1.523 1.523 0.916 0.834 1.523 0.774 0.755 1.523 1.523 1.523 Phase annealing cycle: 6 Beta = 0.25696 Ralpha 0.243 0.315 0.215 0.282 0.237 0.152 0.218 0.206 0.152 0.152 0.152 0.152 0.230 0.277 0.152 0.266 0.297 0.152 0.152 0.152 Nqual -0.648-0.337 0.064-0.064-0.212-0.797 0.505 0.269-0.797-0.797-0.797-0.797 0.048-0.274-0.797-0.519 0.088-0.797-0.797-0.797 Mabs 0.842 0.758 0.911 0.800 0.837 1.523 0.901 0.939 1.523 1.523 1.523 1.523 0.914 0.827 1.523 0.813 0.744 1.523 1.523 1.523 Phase annealing cycle: 7 Beta = 0.28551 Ralpha 0.253 0.325 0.219 0.282 0.235 0.152 0.210 0.199 0.152 0.152 0.152 0.152 0.226 0.283 0.152 0.225 0.293 0.152 0.152 0.152 Nqual -0.673-0.404 0.038-0.082-0.167-0.797 0.515 0.301-0.797-0.797-0.797-0.797 0.015-0.287-0.797-0.440-0.009-0.797-0.797-0.797 Mabs 0.836 0.745 0.922 0.797 0.847 1.523 0.905 0.943 1.523 1.523 1.523 1.523 0.917 0.829 1.523 0.879 0.746 1.523 1.523 1.523 Phase annealing cycle: 8 Beta = 0.31723 Ralpha 0.251 0.309 0.221 0.288 0.228 0.152 0.208 0.198 0.152 0.152 0.152 0.152 0.221 0.265 0.152 0.202 0.293 0.152 0.152 0.152 Nqual -0.657-0.472-0.024-0.096-0.148-0.797 0.448 0.277-0.797-0.797-0.797-0.797 0.043-0.272-0.797-0.532 0.105-0.797-0.797-0.797 Mabs 0.837 0.756 0.921 0.799 0.851 1.523 0.902 0.938 1.523 1.523 1.523 1.523 0.920 0.837 1.523 0.937 0.750 1.523 1.523 1.523 Phase annealing cycle: 9 Beta = 0.35248 Ralpha 0.249 0.286 0.225 0.283 0.228 0.152 0.210 0.206 0.152 0.152 0.152 0.152 0.222 0.257 0.152 0.186 0.298 0.152 0.152 0.152 Nqual -0.652-0.378-0.024-0.049-0.135-0.797 0.450 0.260-0.797-0.797-0.797-0.797 0.011-0.211-0.797-0.406 0.039-0.797-0.797-0.797 Mabs 0.835 0.765 0.920 0.801 0.850 1.523 0.907 0.921 1.523 1.523 1.523 1.523 0.921 0.838 1.523 0.955 0.746 1.523 1.523 1.523 Phase annealing cycle: 10 Beta = 0.39165 Ralpha 0.247 0.293 0.221 0.288 0.232 0.152 0.213 0.205 0.152 0.152 0.152 0.152 0.221 0.232 0.152 0.186 0.292 0.152 0.152 0.152 Nqual -0.653-0.304-0.017-0.088-0.153-0.797 0.461 0.192-0.797-0.797-0.797-0.797-0.022-0.075-0.797-0.509 0.140-0.797-0.797-0.797 Mabs 0.839 0.764 0.920 0.795 0.847 1.523 0.903 0.919 1.523 1.523 1.523 1.523 0.921 0.853 1.523 0.963 0.749 1.523 1.523 1.523 Phase refinement cycle: 1 Ralpha 0.789 1.058 0.607 0.850 0.722 0.112 0.620 0.581 0.112 0.112 0.112 0.112 0.610 0.839 0.112 0.543 1.116 0.112 0.112 0.112 Nqual -0.472-0.147 0.126 0.013-0.040-0.750 0.396 0.256-0.750-0.750-0.750-0.750 0.065-0.102-0.750-0.315-0.014-0.750-0.750-0.750 Mabs 0.546 0.492 0.600 0.534 0.564 1.039 0.594 0.606 1.039 1.039 1.039 1.039 0.599 0.531 1.039 0.619 0.483 1.039 1.039 1.039 Phase refinement cycle: 2 Ralpha 0.249 0.304 0.280 0.271 0.259 0.236 0.241 0.233 0.236 0.236 0.236 0.236 0.280 0.285 0.236 0.231 0.280 0.236 0.236 0.236 Nqual -0.371 0.088 0.209 0.124 0.007-0.848 0.428 0.432-0.848-0.848-0.848-0.848 0.209-0.247-0.848-0.196 0.128-0.848-0.848-0.848 Mabs 0.901 0.862 0.984 0.911 0.931 1.696 0.993 0.980 1.696 1.696 1.696 1.696 0.984 0.853 1.696 0.992 0.839 1.696 1.696 1.696 Try Ralpha Nqual Sigma-1 M(abs) CFOM Seminvariants 1720229. 0.263 -0.280 0.472 0.933 0.265 +--+- ---++ -+++- +++-+ +-+++ -++-- ++-+- -++-+ ----+ ++++ 212537. 0.323 0.014 0.436 0.868 0.435 +--+- ---+- ---++ -+-++ +++++ -++-- -+--- +-+-+ -+--+ -+-- 1062685. 0.287 0.167 0.550 0.970 0.524 -+--+ +-++- -+++- ----+ +--+- ----- --+++ --+++ --+-- ---+ 1119121. 0.298 0.123 -0.099 0.923 0.495 -+--+ ++++- ++++- -++-- +--++ ---+- ----- +++-- --+-- +--+ 1401301. 0.278 -0.016 0.357 0.926 0.370 +-++- --+++ -++-- --+-- +---+ +---+ +++-+ ++--- +++++ ++-- 715049. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1478093. 0.252 0.445 0.486 0.997 0.836 --+-+ +-+-+ ++-+- -+--- +--+- +++-- ----- +-+++ --++- -+-+ 1099009. 0.251 0.529 0.532 0.991 0.972 --+-+ +-+-+ ++-+- -+--- +---- +++-- -+--- +-+++ ---+- -+-+ 1300741. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 212249. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1061245. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1111921. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1365301. 0.287 0.167 0.550 0.970 0.524 -+--+ +-++- -+++- ----+ +--+- ----- --+++ --+++ --+-- ---+ 535049. 0.303 -0.341 0.540 0.843 0.303 -+-++ +++-- ++++- --+-- +-++- +---- +-+++ --+++ ----- +--- 578093. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 793313. 0.248 -0.254 0.336 0.983 0.252 ++++- --+++ -++-- ----- +---+ ----+ +++-+ ++--- +++++ ---- 1869413. 0.288 0.081 0.477 0.868 0.448 +--+- ---+- --++- ++-++ +++++ +++-- -+-+- +++-- ----+ --++ 958457. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 597981. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 892753. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 269461. 0.245 -0.177 0.336 0.995 0.266 ++++- --+++ -++-- ----- +---+ ----+ +++-+ ++--- +++++ ---- 1347305. 0.243 -0.259 0.362 0.982 0.247 ++++- --+++ -++-- +---- +---+ ----+ +++-+ ++--- +++++ ---- 445069. 0.817 -0.036 0.171 0.537 0.898 +--++ ++++- ---++ +--+- ++++- +---+ +---- --++- -++-- -++- 128193. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 640965. 0.242 0.013 0.453 0.967 0.353 +---- ---++ --+++ +++++ +-+++ +++-- ++-+- +++-+ ----+ ++++ 1107673. 0.250 0.222 0.064 1.011 0.544 +++++ ----- ++-++ +++-- ---++ -++-- -+-+- ++--+ --+-- ---+ 1344061. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 428849. 0.240 -0.215 0.336 0.989 0.251 ++++- --+++ -++-- ----- +---+ ----+ +++-+ ++--- +++++ ---- 47093. 0.278 -0.280 0.527 0.925 0.280 ----- ----+ +--++ -++++ +++++ +++-- -+-+- +++-+ ----+ -+-+ 235465. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1177325. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1692321. 0.308 0.125 0.481 0.911 0.506 ----- ----- +--++ -++++ +++++ -++-- -+-+- +++-+ --+-+ -+-+ 609125. 0.250 0.191 0.064 1.012 0.512 +++++ ----- ++-++ +++-- ---++ -++-- -+-+- ++--+ --+-- ---+ 643153. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 781509. 0.248 -0.254 0.336 0.983 0.252 ++++- --+++ -++-- ----- +---+ ----+ +++-+ ++--- +++++ ---- 732177. 0.275 0.033 0.357 0.927 0.400 +-++- --+++ -++-- --+-- +---+ +---+ +++-+ ++--- +++++ ++-- 1414593. 0.273 -0.395 0.223 0.935 0.273 -+--- -+++- +++-+ ++-+- +++-- ++++- --+-+ -+--- --+-- -+++ 1507325. 0.240 -0.215 0.336 0.989 0.251 ++++- --+++ -++-- ----- +---+ ----+ +++-+ ++--- +++++ ---- 1589877. 0.240 -0.215 0.336 0.989 0.251 ++++- --+++ -++-- ----- +---+ ----+ +++-+ ++--- +++++ ---- 1769097. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 2042553. 0.240 -0.215 0.336 0.989 0.251 ++++- --+++ -++-- ----- +---+ ----+ +++-+ ++--- +++++ ---- 1118613. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1810393. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 948473. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1563733. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1245169. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1254233. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1344589. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1507665. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1657453. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 121825. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1883197. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 301533. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1297853. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1533833. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 2047493. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 382113. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1822961. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1773669. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1995809. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1811597. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 726197. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1984721. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 974661. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 254229. 0.248 -0.254 0.336 0.983 0.252 ++++- --+++ -++-- ----- +---+ ----+ +++-+ ++--- +++++ ---- 1675661. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1417713. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1702697. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1370737. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 702973. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 2032681. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 667933. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1083705. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 713993. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1788325. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1007529. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 357665. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 560025. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1969681. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1309137. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1431201. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1588081. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1190209. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 2059525. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 863405. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1852401. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1909017. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 660061. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 489337. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 2068153. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1434733. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1155641. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 349717. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 411905. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1628049. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 569429. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 602173. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 346257. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 210693. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1685257. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 892885. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 441025. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 461569. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1941729. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 647441. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1662373. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 308729. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 924097. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 428393. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 150381. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 33753. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1543645. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 116941. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 716089. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 2001165. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 163253. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1984173. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 584705. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 593065. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 773377. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1510889. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1663457. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 843721. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 499477. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 293665. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1468325. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 2044201. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 117445. 0.244 -0.824 0.783 1.668 0.244* -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 871289. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1956373. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 674829. 0.243 -0.259 0.362 0.982 0.247 ++++- --+++ -++-- +---- +---+ ----+ +++-+ ++--- +++++ ---- 1276993. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 93509. 0.243 -0.259 0.362 0.982 0.247 ++++- --+++ -++-- +---- +---+ ----+ +++-+ ++--- +++++ ---- 467545. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1202865. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1820021. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 711497. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1460333. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1010209. 0.273 -0.395 0.223 0.935 0.273 -+--- -+++- +++-+ ++-+- +++-- ++++- --+-+ -+--- --+-- -+++ 856741. 0.243 -0.259 0.362 0.982 0.247 ++++- --+++ -++-- +---- +---+ ----+ +++-+ ++--- +++++ ---- 89401. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 447005. 0.290 -0.732 -0.074 0.871 0.290 +--+- ++-++ +-+-- ---+- -++-+ -+++- --+++ --++- +---+ --+- 187393. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 936965. 0.273 -0.395 0.223 0.935 0.273 -+--- -+++- +++-+ ++-+- +++-- ++++- --+-+ -+--- --+-- -+++ 490521. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 355453. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 497717. 0.240 -0.215 0.336 0.989 0.251 ++++- --+++ -++-- ----- +---+ ----+ +++-+ ++--- +++++ ---- 1957165. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1044637. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1147821. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1322113. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1919357. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1197801. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 135905. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1123789. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1595545. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 844297. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1544801. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1886649. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 213685. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1054545. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1808957. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 584897. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1028881. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 109097. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1054213. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1079281. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1888665. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 377397. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1403285. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1733853. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 766201. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1037281. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 603965. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1923929. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 280657. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1886985. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 724969. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1231037. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 377733. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1088941. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 263037. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 963037. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 447593. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1735857. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1123285. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 904353. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 226557. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1056649. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1564481. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 527793. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 704065. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 975469. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1908073. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 524989. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1132785. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1547529. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 385029. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1335297. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1548777. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 226893. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1798757. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 921333. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1406737. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1644173. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 180973. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 422533. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 729. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1925145. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1896421. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1198553. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1939125. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1971765. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 938521. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1064793. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1988881. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 978549. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1819529. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1535245. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1825229. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1300321. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 307049. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1665245. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1840749. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1395053. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1102801. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 460493. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 2014589. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 602773. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1047113. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1274401. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 389261. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1824589. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1335645. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1747437. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 42077. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1041261. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1004481. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1614589. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1835777. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 2027209. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 211881. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 881237. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ 1828157. 0.244 -0.824 0.783 1.668 0.244 -++-- --+-- +---+ +--+- +++-+ +---- -++++ -+--+ +--++ --++ CFOM Range Frequency 0.000 - 0.020 0 0.020 - 0.040 0 0.040 - 0.060 0 0.060 - 0.080 0 0.080 - 0.100 0 0.100 - 0.120 0 0.120 - 0.140 0 0.140 - 0.160 0 0.160 - 0.180 0 0.180 - 0.200 0 0.200 - 0.220 0 0.220 - 0.240 0 0.240 - 0.260 222 0.260 - 0.280 5 0.280 - 0.300 2 0.300 - 0.320 5 0.320 - 0.340 0 0.340 - 0.360 2 0.360 - 0.380 1 0.380 - 0.400 0 0.400 - 0.420 2 0.420 - 0.440 1 0.440 - 0.460 2 0.460 - 0.480 1 0.480 - 0.500 1 0.500 - 0.520 2 0.520 - 0.540 5 0.540 - 0.560 1 0.560 - 0.580 0 0.580 - 0.600 0 0.600 - 9.999 4 256. Phase sets refined - best is code 117445. with CFOM = 0.2439 2.0 seconds CPU time Tangent expanded to 927 out of 927 E greater than 1.200 Highest memory used = 3868 / 10666 0.1 seconds CPU time FMAP and GRID set by program FMAP 8 2 19 GRID -1.563 24 -2 1.563 1 2 E-Fourier for 2007src0607 in Pbca Maximum = 404.75, minimum = -73.61 highest memory used = 8868 / 19774 0.1 seconds CPU time Heavy-atom assignments: x y z s.o.f. Height P1 0.9219 0.1406 0.3695 1.0000 404.8 Peak list optimization RE = 0.377 for 22 surviving atoms and 927 E-values Highest memory used = 1683 / 8343 0.1 seconds CPU time E-Fourier for 2007src0607 in Pbca Maximum = 384.29, minimum = -77.27 highest memory used = 8876 / 19774 0.1 seconds CPU time Peak list optimization RE = 0.336 for 25 surviving atoms and 927 E-values Highest memory used = 1691 / 8343 0.1 seconds CPU time E-Fourier for 2007src0607 in Pbca Maximum = 378.18, minimum = -59.36 highest memory used = 8876 / 19774 0.0 seconds CPU time Molecule 1 scale 1.000 inches = 2.540 cm per Angstrom 1 30 3 6 P1 27 2 5 7 Atom Peak x y z SOF Height Distances and Angles P1 0. 0.9219 0.1406 0.3695 1.000 1.48 0 1 1.529 0 2 1.536 92.5 0 3 1.536 86.3 176.2 0 5 1.498 94.6 90.0 93.7 0 6 1.644 88.1 90.1 86.2 177.3 0 7 1.549 178.3 87.9 93.2 87.1 90.3 0 30 1.219 82.5 46.1 130.1 135.6 45.1 96.7 1 27 3.254 89.4 117.9 65.8 28.1 152.0 91.8 161.2 1 132. 0.8844 0.1894 0.3018 1.000 1.47 0 P1 1.529 0 30 1.826 41.4 2 120. 0.8217 0.0778 0.3641 1.000 2.94 0 P1 1.536 0 30 1.119 51.8 3 109. 1.0256 0.2004 0.3706 1.000 0.00 0 P1 1.536 5 101. 0.8547 0.1952 0.4207 1.000 1.95 0 P1 1.498 6 96. 0.9981 0.0783 0.3166 1.000 0.96 0 P1 1.644 0 30 1.165 47.8 7 96. 0.9626 0.0899 0.4369 1.000 1.47 0 P1 1.549 30 34. 0.9018 0.0787 0.3314 1.000 2.02 0 P1 1.219 0 1 1.826 56.1 0 2 1.119 82.1 94.5 0 6 1.165 87.2 92.5 161.0 Atom Code x y z Height Symmetry transformation 27 1 0.8863 0.3138 0.4649 0.96 0.0000+X 0.5000-Y -0.5000+Z Molecule 2 scale 0.864 inches = 2.193 cm per Angstrom 17 22 21 34 26 25 19 23 32 18 28 27 24 20 14 10 P1 12 11 4 15 13 29 9 31 8 16 33 32 27 Atom Peak x y z SOF Height Distances and Angles 4 102. 0.8672 0.1425 0.7198 1.000 2.91 0 8 1.320 0 10 1.520 111.3 0 13 1.257 115.1 133.4 8 88. 0.9065 0.1868 0.6643 1.000 2.17 0 4 1.320 0 15 1.510 105.1 0 16 1.463 124.2 128.7 9 83. 1.0755 0.1410 0.6002 1.000 1.00 0 15 1.311 10 75. 0.9633 0.1115 0.7683 1.000 2.39 0 4 1.520 0 11 1.529 92.5 0 12 1.459 105.1 49.2 0 14 1.248 116.2 131.6 138.1 0 20 1.633 124.4 143.0 110.9 37.7 11 69. 1.0470 0.1767 0.7370 1.000 1.16 0 10 1.529 0 12 1.244 62.5 0 15 1.405 103.0 70.5 0 29 1.646 154.7 118.0 58.0 12 67. 1.0603 0.1003 0.7199 1.000 1.59 0 10 1.459 0 11 1.244 68.3 0 15 1.535 100.2 59.6 13 65. 0.7619 0.1288 0.7188 1.000 3.90 0 4 1.257 14 64. 0.9369 0.0936 0.8321 1.000 2.83 0 10 1.248 0 18 1.939 107.9 0 20 0.999 92.5 45.6 0 24 1.305 133.7 103.8 133.5 0 28 1.568 111.4 26.6 72.2 84.1 15 64. 1.0323 0.1674 0.6618 1.000 1.25 0 8 1.510 0 9 1.311 118.0 0 11 1.405 94.0 147.1 0 12 1.535 109.1 107.9 49.8 0 29 1.494 104.8 106.7 69.1 110.3 0 31 1.963 92.8 101.1 83.5 128.4 18.5 16 62. 0.8348 0.2250 0.6082 1.000 2.42 0 8 1.463 0 32 1.815 124.0 0 33 1.357 106.4 111.2 17 59. 1.2408 0.0003 0.9642 1.000 1.14 0 21 1.745 0 22 1.124 124.5 0 34 1.202 85.8 38.8 18 57. 1.0501 0.0149 0.8695 1.000 2.51 0 14 1.939 0 19 1.642 88.1 0 20 1.431 29.9 115.9 0 23 1.511 145.2 120.9 122.6 0 28 0.883 52.6 41.5 82.5 139.4 0 34 1.855 149.5 72.3 166.0 48.7 99.2 19 56. 1.0695 0.0812 0.9375 1.000 1.95 0 18 1.642 0 21 1.194 128.2 0 28 1.142 30.8 150.6 20 50. 0.9531 0.0314 0.8248 1.000 3.15 0 10 1.633 0 14 0.999 49.8 0 18 1.431 116.6 104.5 0 28 1.580 93.2 70.8 33.6 21 48. 1.1371 0.0762 0.9856 1.000 1.48 0 17 1.745 0 19 1.194 110.0 22 42. 1.2464 -0.0347 0.9111 1.000 1.28 0 17 1.124 0 23 1.706 127.3 0 26 1.027 157.6 34.9 0 34 0.775 76.1 55.7 90.3 23 42. 1.1397 -0.0505 0.8498 1.000 2.21 0 18 1.511 0 22 1.706 104.8 0 25 1.453 153.4 98.8 0 26 1.043 139.0 34.2 65.2 0 34 1.422 78.4 26.8 125.6 60.9 24 38. 0.9088 0.1395 0.8884 1.000 2.81 0 14 1.305 0 27 1.611 171.2 0 28 1.935 53.7 118.2 25 38. 1.1774 -0.1317 0.8199 1.000 2.45 0 23 1.453 0 26 1.387 43.0 26 34. 1.2191 -0.0711 0.8681 1.000 1.72 0 22 1.027 0 23 1.043 110.9 0 25 1.387 169.2 71.8 0 34 1.291 36.9 74.2 145.3 27 34. 0.8863 0.1862 0.9649 1.000 2.76 0 24 1.611 3 32 1.306 166.5 28 34. 1.0444 0.0703 0.8784 1.000 2.16 0 14 1.568 0 18 0.883 100.8 0 19 1.142 133.9 107.7 0 20 1.580 37.0 63.9 146.0 0 24 1.935 42.1 128.8 92.1 73.4 29 34. 1.0890 0.2505 0.6792 1.000 0.18 0 11 1.646 0 15 1.494 52.9 0 31 0.723 146.0 120.5 31 33. 1.0737 0.2891 0.6599 1.000 0.00 0 15 1.963 0 29 0.723 41.0 32 32. 0.8882 0.2648 0.5222 1.000 1.56 0 16 1.815 2 27 1.306 154.4 33 30. 0.7463 0.1706 0.5982 1.000 3.56 0 16 1.357 34 30. 1.1948 -0.0042 0.9062 1.000 1.48 0 17 1.202 0 18 1.855 136.7 0 22 0.775 65.2 149.1 0 23 1.422 152.4 53.0 97.5 0 26 1.291 115.7 97.8 52.8 44.9 Atom Code x y z Height Symmetry transformation P1 1 0.9219 0.3594 0.8695 1.05 0.0000+X 0.5000-Y 0.5000+Z 27 2 0.8863 0.3138 0.4649 1.14 0.0000+X 0.5000-Y -0.5000+Z 32 3 0.8882 0.2352 1.0222 2.45 0.0000+X 0.5000-Y 0.5000+Z 0.0 seconds CPU time +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + 2007src0607 finished at 22:44:27 Total CPU time: 4.0 secs + +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++