+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXS-97 - CRYSTAL STRUCTURE SOLUTION - WinGX VERSION + + Copyright(C) George M. Sheldrick 1986-97 Release 97-2 + + 05src0055 started at 22:44:55 on 22 Jan 2005 + +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TITL 05src0055 in Pbca CELL 0.71073 14.1438 12.9258 14.7767 90.000 90.000 90.000 ZERR 8.00 0.0015 0.0012 0.0008 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 S UNIT 84 70 42 V = 2701.48 At vol = 21.4 F(000) = 1246.0 mu = 0.86 mm-1 Max single Patterson vector = 18.5 cell wt = 2425.92 rho = 1.491 OMIT 4.00 180.00 ESEL 1.200 5.000 0.005 0.700 0 TREF HKLF 4 1 0 1 0 1 0 0 0 0 -1 h k l F*F Sigma Why Rejected 0.00 -3.00 0.00 3.52 0.72 Observed but should be systematically absent 1.00 -3.00 0.00 4.63 0.86 Observed but should be systematically absent -1.00 3.00 0.00 6.14 1.26 Observed but should be systematically absent 1.00 -3.00 0.00 5.19 1.26 Observed but should be systematically absent -1.00 3.00 0.00 6.08 1.11 Observed but should be systematically absent -1.00 -3.00 0.00 6.80 1.05 Observed but should be systematically absent 3.00 -3.00 0.00 5.56 1.13 Observed but should be systematically absent -3.00 3.00 0.00 6.82 1.36 Observed but should be systematically absent 3.00 -3.00 0.00 5.90 1.35 Observed but should be systematically absent -3.00 -3.00 0.00 6.74 1.23 Observed but should be systematically absent -3.00 3.00 0.00 6.25 1.38 Observed but should be systematically absent -5.00 2.00 0.00 6.30 1.56 Observed but should be systematically absent -5.00 2.00 0.00 6.85 1.47 Observed but should be systematically absent -5.00 -2.00 0.00 6.87 1.68 Observed but should be systematically absent -9.00 0.00 0.00 12.96 3.18 Observed but should be systematically absent 0.00 -5.00 -1.00 5.28 1.28 Observed but should be systematically absent -2.00 0.00 -1.00 5.24 0.88 Observed but should be systematically absent 2.00 0.00 -1.00 4.34 0.31 Observed but should be systematically absent 2.00 0.00 1.00 3.79 0.63 Observed but should be systematically absent 2.00 0.00 -1.00 3.59 0.78 Observed but should be systematically absent -2.00 0.00 -1.00 4.30 0.56 Observed but should be systematically absent -2.00 0.00 -1.00 6.60 0.84 Observed but should be systematically absent 2.00 0.00 -1.00 4.57 0.68 Observed but should be systematically absent -2.00 0.00 1.00 4.25 0.73 Observed but should be systematically absent 2.00 0.00 -1.00 4.96 0.55 Observed but should be systematically absent 2.00 0.00 1.00 5.45 0.64 Observed but should be systematically absent -2.00 0.00 1.00 4.39 0.73 Observed but should be systematically absent 2.00 0.00 1.00 4.46 0.50 Observed but should be systematically absent -3.00 0.00 -1.00 4.85 1.11 Observed but should be systematically absent 0.00 -1.00 -2.00 1.55 0.27 Observed but should be systematically absent 0.00 0.00 -3.00 2.81 0.28 Observed but should be systematically absent 1.00 0.00 3.00 2.90 0.32 Observed but should be systematically absent -1.00 0.00 -3.00 3.04 0.32 Observed but should be systematically absent 1.00 0.00 -3.00 4.13 0.64 Observed but should be systematically absent -1.00 0.00 3.00 4.54 0.71 Observed but should be systematically absent -1.00 0.00 3.00 3.27 0.80 Observed but should be systematically absent 3.00 0.00 -3.00 4.20 0.85 Observed but should be systematically absent -3.00 0.00 -3.00 3.24 0.73 Observed but should be systematically absent 3.00 0.00 -3.00 4.39 1.06 Observed but should be systematically absent -3.00 0.00 -3.00 4.58 1.14 Observed but should be systematically absent 0.00 3.00 4.00 3.05 0.40 Observed but should be systematically absent 0.00 0.00 -5.00 3.61 0.45 Observed but should be systematically absent 0.00 1.00 5.00 0.90 0.22 Observed but should be systematically absent -2.00 0.00 -7.00 2.05 0.45 Observed but should be systematically absent 29229 Reflections read, of which 2102 rejected Maximum h, k, l and 2-Theta = 18. 16. 19. 55.08 3102 Unique reflections, of which 2859 observed R(int) = 0.0339 R(sigma) = 0.0213 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) 8. 20. 58. 86. 116. 124. 101. 122. 177. 239. 345. 484. 714. N(measured) 8. 20. 58. 86. 116. 125. 102. 123. 177. 240. 357. 526. 822. N(theory) 11. 21. 58. 86. 116. 125. 102. 123. 177. 240. 357. 526. 822. 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 = 6605 / 15510 Observed E .GT. 1.200 1.300 1.400 1.500 1.600 1.700 1.800 1.900 2.000 2.100 Number 865 745 644 550 476 392 332 269 221 182 Centric Acentric 0kl h0l hk0 Rest Mean Abs(E*E-1) 0.968 0.736 0.998 1.003 1.139 0.944 0.3 seconds CPU time SUMMARY OF PARAMETERS FOR 05src0055 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 10 nf 16 s+ 0.800 s- 0.200 wr 0.200 PHAN steps 10 cool 0.900 Boltz 0.400 ns 119 mtpr 40 mnqr 10 TREF np 256. nE 179 kapscal 0.900 ntan 2 wn -0.950 FMAP code 8 PLAN npeaks -28 del1 0.500 del2 1.500 MORE verbosity 1 TIME t 9999999. 119 Reflections and 891. unique TPR for phase annealing 179 Phases refined using 2745. unique TPR 262 Reflections and 5526. unique TPR for R(alpha) 0.0 seconds CPU time 765 Unique negative quartets found, 765 used for phase refinement 0.0 seconds CPU time Highest memory used to derive phase relations = 5103 / 15661 ONE-PHASE SEMINVARIANTS h k l E P+ Phi 0 8 4 3.136 0.70 10 0 4 3.104 0.02 0 4 14 2.667 0.01 8 6 6 3.158 0.42 10 4 0 2.336 0.11 6 6 0 2.031 0.94 0 4 4 1.769 0.25 10 8 0 2.571 0.47 6 10 4 2.739 0.47 8 2 10 2.539 0.77 10 4 8 2.442 0.44 2 6 0 1.766 0.66 6 2 8 2.136 0.47 4 10 0 1.889 0.15 4 2 4 1.914 0.51 4 4 0 1.731 0.76 4 8 4 2.040 0.45 8 10 0 2.123 0.97 2 2 4 1.832 0.45 2 10 4 2.088 0.55 8 6 4 2.072 0.54 10 4 4 1.990 0.47 2 2 14 2.082 0.49 0 6 8 1.710 0.54 6 2 4 1.706 0.47 0 8 10 1.934 0.75 10 4 2 1.859 0.45 2 2 6 1.705 0.47 6 6 10 1.890 0.46 0 4 12 1.743 0.70 4 10 8 1.945 0.46 0 8 2 1.633 0.26 6 2 6 1.775 0.45 2 6 10 1.638 0.46 6 6 6 2.069 0.55 4 2 10 1.670 0.60 4 6 8 1.615 0.54 8 2 4 1.707 0.45 6 6 4 1.823 0.50 4 8 10 1.848 0.46 10 6 4 1.532 0.49 Expected value of Sigma-1 = 0.681 Following phases held constant with unit weights for the initial 4 weighted tangent cycles (before phase annealing): h k l E Phase/Comment 10 0 4 3.104 180 sigma-1 = 0.018 0 4 14 2.667 180 sigma-1 = 0.008 1 7 1 2.752 random phase 3 1 1 2.515 random phase 10 4 0 2.336 180 sigma-1 = 0.113 2 1 3 2.316 random phase 6 6 0 2.031 0 sigma-1 = 0.935 3 6 10 2.822 random phase 5 1 2 2.330 random phase 2 5 0 2.086 random phase 4 10 0 1.889 180 sigma-1 = 0.152 8 10 0 2.123 0 sigma-1 = 0.970 3 2 6 2.104 random phase 3 4 1 1.853 random phase 2 1 12 1.924 random phase 7 4 1 1.781 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 146 Unique NQR employed in phase annealing 128 Parallel refinements, highest memory = 6070 / 51504 0.0 seconds CPU time STRUCTURE SOLUTION for 05src0055 in Pbca Phase annealing cycle: 1 Beta = 0.08427 Ralpha 0.627 0.388 0.973 0.179 0.036 1.116 0.697 0.722 0.226 0.039 1.493 0.549 0.038 0.744 0.620 0.671 0.666 0.048 0.058 0.230 Nqual -0.384-0.631-0.280-0.701-0.943-0.346-0.090-0.593-0.374-0.879 0.043 0.011-0.938 0.263-0.045 0.381-0.118-0.783-0.858-0.490 Mabs 0.577 0.674 0.504 0.830 1.185 0.483 0.558 0.555 0.780 1.054 0.437 0.595 1.155 0.555 0.580 0.566 0.571 1.064 1.037 0.774 Phase annealing cycle: 2 Beta = 0.09363 Ralpha 0.523 0.177 0.679 0.151 0.045 0.813 0.596 0.528 0.210 0.045 1.059 0.506 0.045 0.332 0.470 0.505 0.254 0.045 0.045 0.211 Nqual -0.150-0.742-0.354-0.633-0.946-0.645-0.104-0.467-0.510-0.946-0.141 0.084-0.946-0.081-0.129 0.089-0.157-0.946-0.946-0.568 Mabs 0.609 0.862 0.565 0.882 1.228 0.537 0.585 0.608 0.803 1.228 0.491 0.614 1.228 0.708 0.626 0.618 0.778 1.228 1.228 0.813 Phase annealing cycle: 3 Beta = 0.10404 Ralpha 0.454 0.045 0.625 0.136 0.045 0.692 0.656 0.563 0.205 0.045 0.451 0.542 0.045 0.221 0.493 0.494 0.174 0.045 0.045 0.131 Nqual -0.181-0.897-0.346-0.782-0.946-0.549-0.188-0.532-0.420-0.946-0.636-0.309-0.946-0.167-0.265-0.121-0.434-0.946-0.946-0.654 Mabs 0.637 1.088 0.578 0.904 1.228 0.565 0.570 0.595 0.805 1.228 0.644 0.607 1.228 0.803 0.618 0.627 0.858 1.228 1.228 0.898 Phase annealing cycle: 4 Beta = 0.11560 Ralpha 0.353 0.045 0.409 0.138 0.045 0.624 0.665 0.494 0.199 0.045 0.044 0.605 0.045 0.172 0.492 0.405 0.161 0.045 0.045 0.040 Nqual -0.129-0.946 0.044-0.681-0.946-0.467-0.215-0.441-0.459-0.946-0.844-0.389-0.946-0.348-0.368-0.105-0.508-0.946-0.946-0.886 Mabs 0.680 1.228 0.648 0.930 1.228 0.582 0.569 0.619 0.806 1.228 1.082 0.587 1.228 0.846 0.619 0.663 0.865 1.228 1.228 1.154 Phase annealing cycle: 5 Beta = 0.12844 Ralpha 0.363 0.045 0.408 0.138 0.045 0.554 0.566 0.487 0.198 0.045 0.045 0.511 0.045 0.160 0.470 0.374 0.159 0.045 0.045 0.045 Nqual -0.096-0.946 0.074-0.786-0.946-0.650-0.043-0.477-0.467-0.946-0.946-0.160-0.946-0.525-0.302 0.030-0.382-0.946-0.946-0.946 Mabs 0.672 1.228 0.651 0.928 1.228 0.601 0.595 0.620 0.802 1.228 1.228 0.614 1.228 0.866 0.626 0.675 0.872 1.228 1.228 1.228 Phase annealing cycle: 6 Beta = 0.14271 Ralpha 0.350 0.045 0.380 0.134 0.045 0.489 0.464 0.482 0.199 0.045 0.045 0.493 0.045 0.170 0.487 0.349 0.164 0.045 0.045 0.045 Nqual -0.137-0.946 0.179-0.681-0.946-0.548-0.009-0.425-0.439-0.946-0.946-0.234-0.946-0.553-0.259-0.041-0.482-0.946-0.946-0.946 Mabs 0.680 1.228 0.662 0.933 1.228 0.622 0.632 0.624 0.813 1.228 1.228 0.621 1.228 0.861 0.619 0.689 0.867 1.228 1.228 1.228 Phase annealing cycle: 7 Beta = 0.15857 Ralpha 0.362 0.045 0.374 0.126 0.045 0.508 0.468 0.522 0.196 0.045 0.045 0.489 0.045 0.176 0.486 0.320 0.168 0.045 0.045 0.045 Nqual -0.154-0.946 0.198-0.712-0.946-0.577-0.047-0.597-0.518-0.946-0.946-0.331-0.946-0.526-0.368-0.178-0.484-0.946-0.946-0.946 Mabs 0.683 1.228 0.664 0.945 1.228 0.616 0.632 0.610 0.819 1.228 1.228 0.620 1.228 0.862 0.621 0.704 0.864 1.228 1.228 1.228 Phase annealing cycle: 8 Beta = 0.17619 Ralpha 0.362 0.045 0.374 0.081 0.045 0.545 0.467 0.540 0.196 0.045 0.045 0.517 0.045 0.170 0.479 0.318 0.163 0.045 0.045 0.045 Nqual -0.153-0.946 0.198-0.733-0.946-0.589-0.151-0.680-0.488-0.946-0.946-0.219-0.946-0.553-0.316-0.150-0.404-0.946-0.946-0.946 Mabs 0.683 1.228 0.664 1.027 1.228 0.604 0.631 0.603 0.816 1.228 1.228 0.608 1.228 0.861 0.626 0.706 0.865 1.228 1.228 1.228 Phase annealing cycle: 9 Beta = 0.19577 Ralpha 0.372 0.045 0.374 0.041 0.045 0.501 0.475 0.541 0.196 0.045 0.045 0.492 0.045 0.176 0.478 0.329 0.160 0.045 0.045 0.045 Nqual -0.147-0.946 0.198-0.881-0.946-0.592-0.246-0.670-0.488-0.946-0.946-0.181-0.946-0.525-0.339-0.317-0.393-0.946-0.946-0.946 Mabs 0.680 1.228 0.664 1.195 1.228 0.617 0.627 0.605 0.816 1.228 1.228 0.616 1.228 0.862 0.625 0.696 0.871 1.228 1.228 1.228 Phase annealing cycle: 10 Beta = 0.21752 Ralpha 0.327 0.045 0.374 0.045 0.045 0.509 0.483 0.525 0.196 0.045 0.045 0.490 0.045 0.176 0.486 0.331 0.160 0.045 0.045 0.045 Nqual -0.190-0.946 0.198-0.946-0.946-0.612-0.295-0.545-0.488-0.946-0.946-0.150-0.946-0.525-0.201-0.188-0.410-0.946-0.946-0.946 Mabs 0.696 1.228 0.664 1.228 1.228 0.615 0.623 0.608 0.816 1.228 1.228 0.616 1.228 0.862 0.622 0.701 0.870 1.228 1.228 1.228 Phase refinement cycle: 1 Ralpha 1.964 0.147 2.530 0.147 0.147 2.913 2.914 2.827 1.165 0.147 0.147 2.952 0.147 0.893 2.781 1.807 0.892 0.147 0.147 0.147 Nqual -0.202-0.946 0.276-0.946-0.946-0.531-0.123-0.229-0.318-0.946-0.946-0.159-0.946-0.528-0.303-0.266-0.174-0.946-0.946-0.946 Mabs 0.400 0.755 0.367 0.755 0.755 0.347 0.349 0.353 0.477 0.755 0.755 0.347 0.755 0.518 0.352 0.412 0.517 0.755 0.755 0.755 Try Ralpha Nqual Sigma-1 M(abs) CFOM Seminvariants 1420309. 0.614 -0.335 0.242 0.581 0.992 --+-- +--++ +---- -+++- ++--- +-+-- ++-+- -+-+- + 810089. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1953293. 0.984 -0.023 0.144 0.500 1.844 --++- ++-++ ---+- -+++- ++--- +---+ ++--- ++++- - 1377857. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 597829. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 891993. 1.024 -0.568 0.563 0.493 1.170 ----- +-+++ +---+ -+++- +---- +---- -++++ ---+- - 265661. 1.052 -0.395 0.497 0.490 1.360 ---+- ++++- ----+ -++-- ++++- --+++ ----+ +--++ - 1328305. 0.936 -0.194 0.473 0.509 1.508 ---+- ++++- +---+ ++++- +++-- --++- ----+ +--++ + 350069. 0.315 -0.416 0.536 0.710 0.600 +--+- ++-++ +---- --+-- +-+-+ +--+- +++-+ -++-- - 1750345. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 363117. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1815585. 1.046 -0.384 0.488 0.491 1.366 ---+- ++++- ----+ -+++- ++++- ---++ ----+ +--++ + 689317. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1349433. 0.236 -0.692 0.536 0.778 0.302 +--+- ++-++ +---- --+-- +-+-+ +--+- +++-+ -+++- - 455709. 1.057 -0.504 0.540 0.489 1.255 ----- ++++- ----+ +++-- ++++- -++-+ --+++ ---++ - 181393. 0.543 -0.437 0.300 0.606 0.806 --+-- +--++ +---- -+++- ++--- +-++- +---- -+++- + 906965. 0.284 -0.196 -0.099 0.754 0.852 --+++ --++- ++--+ -++-- --+++ --++- ----- +--++ - 340521. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1702605. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 124417. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 622085. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1013273. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 872061. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 166001. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 830005. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 2052873. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1875757. 0.666 -0.193 0.552 0.566 1.239 ----- +-+++ +---+ -+++- ++-+- +---- -+++- ---+- - 990177. 0.218 -0.831 0.547 0.816 0.232 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 756581. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1685753. 1.135 -0.308 0.402 0.478 1.546 ---+- ++++- ----+ -+++- ++++- -+++- ----- +--++ - 40157. 0.518 -0.627 0.574 0.615 0.623 ----- +++++ ----+ -+++- +--+- +---+ -++++ ---+- - 200785. 0.450 -0.605 0.561 0.641 0.570 ----- +++++ ----+ -+++- +--+- ++--+ -++++ ---+- - 1035749. 0.217 -0.824 0.547 0.816 0.233 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1013441. 0.236 -0.692 0.536 0.778 0.302 +--+- ++-++ +---- --+-- +-+-+ +--+- +++-+ -+++- - 1586817. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1995085. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 403405. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1757525. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 170201. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 854997. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1890781. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1484681. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1065297. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1466601. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1261365. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1465441. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 399017. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 252273. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1125493. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1387197. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1742241. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1452657. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1482665. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1955161. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 644529. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1447645. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1315557. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1208605. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1121869. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 718581. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 289529. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 783749. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 971829. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1229893. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1175145. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1038949. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 22269. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 807901. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1621645. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 258413. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1335213. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1705801. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 211797. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 513653. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 18497. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1804545. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1250977. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 943293. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 145257. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 2063305. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 2073941. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 991073. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1947681. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 904305. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 897861. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1349797. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1730937. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1140665. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1974321. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1288373. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 2023909. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 761061. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1832437. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 623117. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1954897. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1931341. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 480629. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1445781. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1089405. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 303457. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1973641. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1479597. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1952105. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1643025. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1294969. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 305993. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1854209. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 572853. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1371917. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1146701. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1013449. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 618097. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1635773. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1975137. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1746025. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 951517. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1341781. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1353721. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1231117. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 344325. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1826241. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1597213. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 973853. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 219517. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 746585. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 742597. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 484045. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 13773. 0.046 -0.987 0.547 1.154 0.046* +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1340501. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 411049. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 2055245. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1053081. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1071101. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1161201. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1611701. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 136033. 0.054 -0.941 0.547 1.013 0.054 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1303673. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 226909. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1100649. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1308941. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 253249. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1266245. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 39769. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 994225. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 546157. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 633633. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1071013. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1160761. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1609501. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1668925. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 800557. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1971305. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1837833. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1870753. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 631481. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1748853. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 333785. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 502817. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 2022913. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1288597. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1205885. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 757645. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 965157. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 2034717. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 887449. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 917713. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 2057173. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1007497. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 178513. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 437537. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 574509. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 166173. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1403117. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1576281. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1342605. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 21601. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 892565. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 694069. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 830865. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 452665. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1960677. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 429953. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 2089129. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 975337. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 282357. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1094277. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 737345. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 469745. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1990589. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1830777. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 147469. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1564337. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1807841. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1498377. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1517469. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1632849. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1455049. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1070329. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 986665. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1788025. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 339573. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 176321. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1972193. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 34965. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1832345. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1188253. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 100717. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 739021. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1946213. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 453557. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 773117. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1698309. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 525173. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 795965. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1286521. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 742181. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 398209. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1920501. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1777309. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1131265. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 866409. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 219233. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1864081. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1770377. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 137741. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 2084081. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 226253. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 831777. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 53689. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1193. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1276581. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 928437. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 472257. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 252977. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1843889. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 90077. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 5965. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 830837. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 2023973. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 301537. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 91449. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 29825. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1695737. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - 1327089. 0.046 -0.987 0.547 1.154 0.046 +---- ++-+- --+-- --+-- +-+++ -++-+ ---+- +-+++ - CFOM Range Frequency 0.000 - 0.020 0 0.020 - 0.040 0 0.040 - 0.060 226 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 3 0.240 - 0.260 0 0.260 - 0.280 0 0.280 - 0.300 0 0.300 - 0.320 3 0.320 - 0.340 0 0.340 - 0.360 0 0.360 - 0.380 0 0.380 - 0.400 0 0.400 - 0.420 0 0.420 - 0.440 0 0.440 - 0.460 0 0.460 - 0.480 0 0.480 - 0.500 0 0.500 - 0.520 0 0.520 - 0.540 0 0.540 - 0.560 1 0.560 - 0.580 4 0.580 - 0.600 0 0.600 - 9.999 19 256. Phase sets refined - best is code 13773. with CFOM = 0.0464 0.3 seconds CPU time Tangent expanded to 865 out of 865 E greater than 1.200 Highest memory used = 3605 / 8782 0.0 seconds CPU time FMAP and GRID set by program FMAP 8 1 17 GRID -1.786 -2 -1 1.786 2 1 E-Fourier for 05src0055 in Pbca Maximum = 250.28, minimum = -44.85 highest memory used = 8805 / 16206 0.0 seconds CPU time Heavy-atom assignments: x y z s.o.f. Height S1 0.1102 0.8019 0.3921 1.0000 250.3 S2 0.1499 0.5152 0.2574 1.0000 237.9 S3 0.1908 0.8375 0.1426 1.0000 231.8 S4 0.0756 0.0729 0.4226 1.0000 211.5 S5 0.0590 0.2531 0.2444 1.0000 193.8 S6 0.1479 0.4865 0.4749 1.0000 171.2 Peak list optimization RE = 0.153 for 18 surviving atoms and 865 E-values Highest memory used = 1620 / 7785 0.0 seconds CPU time E-Fourier for 05src0055 in Pbca Maximum = 259.83, minimum = -49.44 highest memory used = 8853 / 16206 0.0 seconds CPU time Peak list optimization RE = 0.165 for 20 surviving atoms and 865 E-values Highest memory used = 1668 / 7785 0.0 seconds CPU time E-Fourier for 05src0055 in Pbca Maximum = 258.28, minimum = -41.00 highest memory used = 8853 / 16206 0.0 seconds CPU time Molecule 1 scale 0.624 inches = 1.585 cm per Angstrom S1 18 S2 17 22 27 21 13 S3 26 14 12 16 10 S4 6 9 23 S6 28 1 23 S1 15 20 2 14 26 19 S3 18 4 25 27 22 S2 13 S5 17 3 S5 21 27 S3 S3 5 7 11 14 26 8 S4 S1 S6 28 24 24 23 S1 S4 26 14 Atom Peak x y z SOF Height Distances and Angles S1 0. 0.1102 0.8019 0.3921 1.000 1.25 0 S5 3.191 0 1 2.565 101.2 0 2 1.778 74.4 31.3 0 4 2.750 53.6 57.9 26.7 0 6 2.541 126.2 31.7 63.0 89.6 0 9 1.774 145.5 62.0 93.3 120.0 30.4 0 15 2.644 78.0 23.2 16.4 39.9 52.3 82.1 0 18 2.572 70.2 63.3 38.0 24.8 92.1 118.8 54.4 0 19 2.856 72.4 33.6 2.3 24.4 65.2 95.6 17.9 36.5 0 22 2.530 36.4 83.3 52.0 25.4 114.9 145.3 64.0 34.1 49.7 0 25 3.174 37.8 64.3 36.7 22.5 93.2 121.6 41.4 46.8 34.8 29.4 0 26 3.065 41.7 98.5 89.0 82.3 104.3 107.6 81.1 105.5 88.1 75.4 59.9 12 13 3.253 65.6 149.7 120.5 94.4 166.7 143.0 134.1 86.4 118.3 70.1 95.4 15 14 3.259 51.9 121.0 112.9 102.2 117.9 108.5 105.3 122.0 111.9 88.3 80.9 21 23 3.174 62.7 71.1 72.5 79.2 73.9 82.9 59.4 103.6 72.7 85.6 59.2 S2 0. 0.1499 0.5152 0.2574 1.000 2.73 0 S6 3.235 0 2 2.727 54.1 0 3 2.535 101.7 58.2 0 4 1.763 76.0 27.1 31.1 0 5 2.521 125.5 89.2 31.0 62.1 0 7 1.759 141.3 118.7 60.7 91.7 29.6 0 14 2.655 137.2 149.1 91.7 122.6 60.8 31.2 0 15 2.831 36.6 22.0 66.6 39.4 95.0 121.5 143.5 0 18 1.851 84.2 34.7 56.9 37.2 82.5 108.0 135.2 56.7 0 19 1.958 39.2 18.9 64.7 36.8 93.6 120.8 144.4 3.1 53.7 0 20 2.139 10.3 64.0 111.5 86.3 133.2 142.9 131.0 46.9 92.4 49.5 0 22 2.635 96.4 43.9 23.4 21.2 50.5 78.9 109.8 60.1 33.6 57.3 106.7 0 25 2.612 78.2 45.0 24.5 23.9 49.4 76.7 104.5 45.6 60.7 44.4 87.6 0 27 1.798 114.8 159.1 140.7 168.9 110.4 81.2 51.7 151.4 137.5 153.8 104.5 18 21 2.578 120.2 68.7 54.3 57.3 63.5 79.3 100.7 90.2 36.1 87.1 128.1 S3 0. 0.1908 0.6625 0.6426 1.000 2.21 0 S6 3.418 0 1 2.799 31.4 0 6 1.784 56.0 24.6 0 9 2.727 81.4 50.0 25.4 0 10 2.769 32.4 62.2 86.2 111.3 0 12 1.832 55.9 76.5 94.7 114.0 31.5 0 13 2.159 78.9 100.7 117.1 131.5 49.7 24.4 0 16 1.281 88.5 67.1 52.9 43.4 118.5 143.1 167.4 0 21 1.967 145.3 115.5 91.7 67.6 153.8 123.2 110.0 79.6 14 14 3.120 83.1 94.3 102.1 106.5 86.3 114.0 114.4 64.9 119.5 16 17 2.895 136.2 137.3 126.0 108.0 129.9 138.0 116.9 73.4 71.1 53.1 17 18 3.191 160.6 135.6 112.7 88.9 145.0 114.7 95.4 95.9 21.4 116.0 62.9 19 22 3.046 133.5 117.6 101.0 83.8 123.4 92.0 78.8 109.5 31.8 143.4 90.3 25 26 2.949 98.4 97.1 94.2 89.0 110.0 139.2 137.5 45.6 96.2 25.4 41.3 26 27 1.857 93.1 119.6 137.7 147.0 74.7 88.4 78.2 104.3 121.4 40.5 55.5 S4 0. -0.0756 0.5729 0.0774 1.000 3.12 0 S5 3.524 0 3 2.781 30.7 0 5 1.768 53.9 23.3 0 7 2.656 79.9 49.3 26.0 0 8 1.918 51.9 79.9 100.5 124.2 0 11 2.783 30.4 60.8 84.1 110.0 32.4 0 23 3.028 78.0 98.4 110.9 124.1 32.5 64.8 0 24 1.176 118.2 147.4 163.3 156.2 67.5 90.1 52.7 13 14 2.850 133.0 147.7 141.7 126.5 82.9 112.8 55.1 29.8 24 26 3.198 108.2 127.7 133.9 133.4 58.7 90.0 30.5 30.1 24.8 S5 0. -0.0590 0.7531 0.2556 1.000 2.15 0 S1 3.191 0 S4 3.524 130.8 0 2 3.208 32.3 104.2 0 3 1.814 80.9 51.4 53.0 0 4 2.706 54.9 78.6 25.8 27.2 0 5 2.864 101.4 29.9 74.5 21.6 48.8 0 8 2.785 147.2 32.8 133.5 81.4 108.0 60.2 0 11 1.803 174.8 51.4 152.3 102.1 128.7 81.1 31.1 0 17 1.214 132.1 92.9 134.4 129.9 139.6 116.8 79.9 48.8 0 22 1.893 52.4 78.4 35.8 32.9 21.7 50.2 100.6 129.0 160.5 0 25 2.061 70.7 73.1 38.5 32.0 25.6 48.4 105.9 114.1 114.1 46.7 0 26 2.229 66.1 148.0 78.3 124.2 101.5 140.5 145.5 114.7 66.0 113.2 93.1 15 14 2.824 65.3 163.9 90.1 142.9 115.9 164.3 135.5 112.8 71.5 117.7 116.6 27 27 3.196 104.8 124.3 129.1 169.4 154.1 153.6 97.4 72.9 39.9 155.9 141.1 S6 0. 0.1479 0.4865 0.4749 1.000 3.30 0 S2 3.235 0 S3 3.418 130.0 0 1 1.785 78.1 54.8 0 2 2.750 53.5 81.1 26.3 0 4 3.288 31.3 106.1 51.3 25.0 0 6 2.838 100.3 31.4 23.4 49.7 74.7 0 10 1.833 176.0 53.9 105.3 129.4 150.4 83.3 0 12 2.831 152.7 32.4 76.2 99.6 121.6 55.9 29.9 0 15 1.944 60.3 82.7 32.4 17.3 29.0 53.2 121.5 92.7 0 19 2.118 35.8 101.9 47.2 20.9 4.5 70.5 146.1 117.1 24.6 0 20 1.194 18.7 140.9 94.6 71.4 50.0 115.2 159.1 170.9 79.0 54.4 0 28 1.221 103.8 125.5 170.9 151.5 127.3 155.8 72.5 100.2 141.3 130.9 88.7 20 23 2.946 110.3 119.5 155.1 145.8 126.4 145.0 65.7 89.9 131.0 128.9 98.4 1 79. 0.1371 0.6235 0.4635 1.000 2.42 0 S1 2.565 0 S3 2.799 105.5 0 S6 1.785 160.6 93.8 0 2 1.395 41.5 146.9 119.2 0 6 1.393 73.3 32.3 126.1 114.7 0 15 1.050 82.6 145.6 82.2 49.1 138.2 0 19 1.591 83.3 170.8 77.5 41.8 156.4 31.2 2 75. 0.1077 0.6649 0.3810 1.000 2.15 0 S1 1.778 0 S2 2.727 139.8 0 S5 3.208 73.4 91.5 0 S6 2.750 141.6 72.4 137.8 0 1 1.395 107.2 104.3 149.3 34.5 0 4 1.409 118.9 34.7 56.8 99.4 133.8 0 15 1.064 135.4 84.5 109.1 32.8 48.3 95.5 0 18 1.602 99.0 41.2 81.0 106.7 127.9 44.6 125.6 0 19 1.082 174.0 36.0 101.3 44.4 78.8 55.1 48.5 77.1 0 22 2.005 83.7 65.6 33.5 134.6 169.1 35.2 123.7 47.5 90.3 3 74. 0.0145 0.6408 0.2337 1.000 2.51 0 S2 2.535 0 S4 2.781 105.0 0 S5 1.814 157.0 98.0 0 4 1.371 41.6 146.3 115.6 0 5 1.353 73.9 31.2 128.9 115.5 0 22 1.053 83.6 140.1 77.7 56.4 132.2 0 25 1.094 81.7 125.3 86.5 58.5 122.4 94.3 4 72. 0.0835 0.6215 0.2966 1.000 2.41 0 S1 2.750 0 S2 1.763 139.2 0 S5 2.706 71.6 144.4 0 S6 3.288 90.1 72.7 136.0 0 2 1.409 34.5 118.2 97.4 55.6 0 3 1.371 106.9 107.3 37.2 146.8 134.5 0 15 1.845 66.9 103.3 107.1 30.7 35.0 133.2 0 18 1.155 69.0 75.5 114.4 94.0 76.6 118.5 102.8 0 19 1.189 82.8 80.6 129.4 8.1 48.3 146.9 22.9 94.6 0 22 1.179 66.8 126.0 36.5 156.8 101.2 48.0 128.8 79.8 149.2 0 25 1.228 98.5 120.6 46.4 100.9 101.6 49.4 84.5 160.7 98.4 81.7 5 69. 0.0123 0.5752 0.1624 1.000 2.83 0 S2 2.521 0 S4 1.768 158.9 0 S5 2.864 104.5 96.2 0 3 1.353 75.1 125.4 29.6 0 7 1.320 41.2 118.0 145.8 116.3 6 68. 0.1550 0.6964 0.5307 1.000 1.97 0 S1 2.541 0 S3 1.784 161.8 0 S6 2.838 105.6 92.6 0 1 1.393 75.1 123.1 30.6 0 9 1.352 41.6 120.2 147.0 116.6 0 16 1.437 123.7 45.3 111.5 132.1 91.6 7 61. 0.0768 0.5014 0.1618 1.000 3.01 0 S2 1.759 0 S4 2.656 145.0 0 5 1.320 109.1 36.0 0 14 1.468 110.3 104.1 140.0 8 60. -0.1142 0.7152 0.0778 1.000 2.37 0 S4 1.918 0 S5 2.785 95.3 0 11 1.553 106.1 36.9 0 23 1.747 111.4 130.7 142.0 0 24 1.827 36.5 130.7 126.8 88.7 9 58. 0.1486 0.7970 0.5063 1.000 1.29 0 S1 1.774 0 S3 2.727 142.4 0 6 1.352 108.0 34.4 0 16 2.001 139.9 26.1 45.9 10 52. 0.1426 0.4616 0.5969 1.000 3.69 0 S3 2.769 0 S6 1.833 93.7 0 12 1.540 38.4 113.8 0 28 1.873 131.3 38.5 147.2 11 52. -0.1528 0.7371 0.1743 1.000 2.57 0 S4 2.783 0 S5 1.803 98.2 0 8 1.553 41.5 111.9 0 17 1.356 129.0 42.3 154.2 12 50. 0.1076 0.5546 0.6528 1.000 3.34 0 S3 1.832 0 S6 2.831 91.7 0 10 1.540 110.1 36.3 0 13 0.901 98.7 156.8 120.5 13 30. 0.1049 0.5508 0.7136 1.000 3.48 0 S3 2.159 0 12 0.901 57.0 14 29. 0.0998 0.4056 0.1132 1.000 3.45 0 S2 2.655 0 7 1.468 38.4 22 24 1.920 138.0 121.2 23 26 1.344 124.5 152.6 85.6 15 27. 0.0813 0.6024 0.4204 1.000 2.76 0 S1 2.644 0 S2 2.831 101.6 0 S6 1.944 137.9 83.1 0 1 1.050 74.2 111.3 65.4 0 2 1.064 28.2 73.5 129.9 82.6 0 4 1.845 73.1 37.3 120.4 123.7 49.5 0 19 0.881 94.8 6.9 88.8 110.6 66.8 31.7 16 27. 0.2372 0.7167 0.5852 1.000 1.53 0 S3 1.281 0 6 1.437 81.8 0 9 2.001 110.5 42.5 17 27. -0.1442 0.7596 0.2635 1.000 2.53 0 S5 1.214 0 11 1.356 88.9 18 26. 0.1583 0.6547 0.2843 1.000 1.81 0 S1 2.572 0 S2 1.851 146.8 0 2 1.602 43.1 104.1 0 4 1.155 86.3 67.3 58.8 0 19 1.722 80.7 66.4 37.8 43.5 0 22 1.498 71.4 103.3 80.5 50.8 90.0 18 21 1.536 108.9 98.7 145.4 108.9 151.4 69.1 19 25. 0.1032 0.5829 0.3672 1.000 2.69 0 S1 2.856 0 S2 1.958 122.6 0 S6 2.118 118.4 105.0 0 1 1.591 63.1 141.9 55.3 0 2 1.082 3.8 125.0 114.7 59.4 0 4 1.189 72.8 62.6 167.4 135.8 76.5 0 15 0.881 67.3 170.1 66.6 38.2 64.7 125.4 0 18 1.722 62.7 60.0 135.7 108.8 65.1 42.0 129.7 0 20 1.723 140.8 70.7 34.3 84.3 137.6 133.3 100.8 113.8 0 25 1.830 82.1 87.1 140.8 129.5 85.3 41.6 96.3 82.8 137.1 20 25. 0.1635 0.4720 0.3965 1.000 3.19 0 S2 2.139 0 S6 1.194 151.0 0 19 1.723 59.8 91.3 0 28 1.689 152.6 46.3 127.5 21 23. 0.1635 0.8027 0.6874 1.000 1.49 0 S3 1.967 17 18 1.536 130.8 19 22 1.720 111.2 54.4 22 23. 0.0643 0.6963 0.2548 1.000 1.94 0 S1 2.530 0 S2 2.635 110.5 0 S5 1.893 91.2 140.2 0 2 2.005 44.3 70.5 110.7 0 3 1.053 140.9 73.0 69.4 110.0 0 4 1.179 87.8 32.8 121.8 43.6 75.6 0 18 1.498 74.5 43.1 162.6 52.0 115.9 49.4 0 25 1.575 98.6 71.7 72.3 68.6 43.9 50.5 99.7 18 21 1.720 104.5 69.0 138.8 106.8 112.4 97.1 56.5 139.3 23 23. -0.0828 0.7771 -0.0229 1.000 1.64 0 S4 3.028 0 8 1.747 36.1 24 26 1.646 80.4 107.9 28 28 1.804 126.1 90.0 131.0 24 22. -0.1233 0.5940 0.0148 1.000 3.11 0 S4 1.176 0 8 1.827 76.0 13 14 1.920 132.4 119.2 25 22. -0.0030 0.6161 0.3026 1.000 2.87 0 S1 3.174 0 S2 2.612 93.9 0 S5 2.061 71.6 131.4 0 3 1.094 93.0 73.8 61.5 0 4 1.228 59.0 35.5 108.0 72.1 0 19 1.830 63.0 48.5 133.8 111.6 40.0 0 22 1.575 52.0 73.3 61.0 41.8 47.8 83.8 26 22. -0.1065 0.8021 0.3930 1.000 2.28 0 S1 3.065 0 S5 2.229 72.2 15 14 1.344 86.0 101.5 21 23 1.646 78.4 116.7 131.0 27 22. 0.2180 0.4202 0.1970 1.000 2.93 0 S2 1.798 5 S3 1.857 168.5 28 22. 0.1419 0.3930 0.4852 1.000 3.96 0 S6 1.221 0 10 1.873 69.0 0 20 1.689 45.0 113.4 20 23 1.804 153.2 97.1 145.6 Atom Code x y z Height Symmetry transformation S1 1 -0.1102 0.3019 0.1079 5.13 0.0000-X -0.5000+Y 0.5000-Z S1 2 0.1102 0.6981 0.8921 2.78 0.0000+X 1.5000-Y 0.5000+Z S1 3 0.1102 0.6981 -0.1079 1.10 0.0000+X 1.5000-Y -0.5000+Z S2 4 0.1499 0.9848 0.7574 0.46 0.0000+X 1.5000-Y 0.5000+Z S3 5 0.3092 0.3375 0.1426 2.96 0.5000-X 1.0000-Y -0.5000+Z S3 6 0.1908 0.8375 0.1426 0.21 0.0000+X 1.5000-Y -0.5000+Z S3 7 -0.3092 0.8375 0.3574 2.96 -0.5000+X 1.5000-Y 1.0000-Z S4 8 0.0756 0.4271 -0.0774 3.11 0.0000-X 1.0000-Y 0.0000-Z S4 9 -0.0756 0.9271 0.5774 1.62 0.0000+X 1.5000-Y 0.5000+Z S5 10 0.0590 0.2531 0.2444 4.88 0.0000-X -0.5000+Y 0.5000-Z S6 11 -0.1479 0.9865 0.0251 0.64 0.0000-X 0.5000+Y 0.5000-Z 13 12 0.1049 0.9492 0.2136 0.00 0.0000+X 1.5000-Y -0.5000+Z 14 13 -0.0998 0.5944 -0.1132 2.78 0.0000-X 1.0000-Y 0.0000-Z 14 14 0.4002 0.5944 0.6132 1.61 0.5000-X 1.0000-Y 0.5000+Z 14 15 -0.0998 0.9056 0.3868 1.56 0.0000-X 0.5000+Y 0.5000-Z 17 16 0.3558 0.7404 0.7365 1.06 0.5000+X 1.5000-Y 1.0000-Z 18 17 0.1583 0.8453 0.7843 1.39 0.0000+X 1.5000-Y 0.5000+Z 21 18 0.1635 0.6973 0.1874 1.34 0.0000+X 1.5000-Y -0.5000+Z 22 19 0.0643 0.8037 0.7548 2.07 0.0000+X 1.5000-Y 0.5000+Z 23 20 0.0828 0.2771 0.5229 5.07 0.0000-X -0.5000+Y 0.5000-Z 23 21 -0.0828 0.7229 0.4771 2.84 0.0000+X 1.5000-Y 0.5000+Z 24 22 0.1233 0.4060 -0.0148 3.12 0.0000-X 1.0000-Y 0.0000-Z 26 23 0.1065 0.3021 0.1070 4.10 0.0000-X -0.5000+Y 0.5000-Z 26 24 -0.1065 0.6979 -0.1070 2.13 0.0000+X 1.5000-Y -0.5000+Z 26 25 0.3935 0.6979 0.6070 0.95 0.5000+X 1.5000-Y 1.0000-Z 27 26 0.2820 0.5798 0.6970 2.41 0.5000-X 1.0000-Y 0.5000+Z 27 27 -0.2180 0.9202 0.3030 1.88 0.0000-X 0.5000+Y 0.5000-Z 28 28 -0.1419 0.8930 0.0148 1.22 0.0000-X 0.5000+Y 0.5000-Z 0.0 seconds CPU time +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + 05src0055 finished at 22:44:55 Total CPU time: 0.7 secs + +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++