++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + XS - CRYSTAL STRUCTURE SOLUTION - SHELXTL Ver. 6.12 UNIX + + Copyright(c) 2001 Bruker AXS All Rights Reserved + + klat083 started at 11:49:39 on 6-Apr-2005 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TITL klat083 in P2(1)/c CELL .71073 23.5152 25.9620 24.3309 90.000 105.269 90.000 ZERR 8.00 .0047 .0053 .0051 .000 .005 .000 LATT 1 SYMM -X, .5+Y, .5-Z SFAC C H B N O F CR UNIT 576 624 8 16 8 192 8 V = 14329.71 At vol = 17.7 F(000) = 6216.0 mu = .27 mm-1 Max single Patterson vector = 13.4 cell wt = 12049.39 rho = 1.396 TEMP -153 SIZE 0.04 0.08 0.18 TREF TEXP CR1 7 .49925 .42220 .76568 11.00000 0.04 CR2 7 .00047 .55464 .76893 11.00000 0.04 HKLF 4 h k l F*F Sigma Why Rejected 1.00 .00 -1.00 7.14 .71 Observed but should be systematically absent 27.00 .00 -9.00 151.28 35.99 Observed but should be systematically absent 23.00 .00 -23.00 119.01 29.45 Observed but should be systematically absent 15.00 .00 -25.00 114.76 23.67 Observed but should be systematically absent 131206 Reflections read, of which 1876 rejected Maximum h, k, l and 2-Theta = 30. 33. 31. 56.54 32507 Unique reflections, of which 20418 observed R(int) = .2127 R(sigma) = .2522 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 .90 .80 N(observed) 107. 212. 530. 811. 1036. 1176. 741. 925. 1268. 1805. 2578. 3661. 4592. N(measured) 116. 230. 616. 911. 1179. 1403. 1013. 1350. 1876. 2591. 3711. 5571. 8761. N(theory) 117. 230. 616. 911. 1179. 1403. 1013. 1350. 1876. 2591. 3711. 5571. 8768. 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 = 65437 /162535 Observed E .GT. 1.200 1.300 1.400 1.500 1.600 1.700 1.800 1.900 2.000 2.100 Number 8168 5676 3930 2774 2050 1517 1105 818 595 421 Centric Acentric 0kl h0l hk0 Rest Mean Abs(E*E-1) 0.968 0.736 .604 .826 .564 .554 .8 seconds elapsed time SUMMARY OF PARAMETERS FOR klat083 in P2(1)/c ESEL Emin 1.200 Emax 5.000 DelU .005 renorm .700 axis 0 OMIT s 4.00 2theta(lim) 180.0 INIT nn 28 nf 16 s+ .800 s- .200 wr .200 PHAN steps 10 cool .900 Boltz .400 ns 569 mtpr 40 mnqr 10 TREF np 256. nE 1079 kapscal .900 ntan 2 wn -.200 TEXP na 647 nh 0 Ek 1.500 FMAP code 8 PLAN npeaks -255 del1 .500 del2 1.500 MORE verbosity 1 TIME t 9999999. RE = .654 for 2 atoms and 2774 E greater than 1.500 .0 seconds elapsed time 648 Reflections and 40. unique TPR for phase annealing 1079 Phases refined using 30359. unique TPR 1613 Reflections and 60726. unique TPR for R(alpha) .3 seconds elapsed time 5920 Unique negative quartets found, 5920 used for phase refinement .3 seconds elapsed time Highest memory used to derive phase relations = 37026 / 77047 ONE-PHASE SEMINVARIANTS h k l E P+ Phi 10 0 0 1.559 .47 0 4 0 0 1.587 .54 0 16 0 2 1.594 .42 180 -12 0 4 1.568 .49 0 2 0 2 1.769 .30 180 2 8 0 1.540 .49 180 -22 0 6 1.507 .59 180 -20 8 28 1.551 .54 0 -6 8 2 1.552 .53 0 10 8 0 1.607 .49 180 -14 8 28 1.604 .49 0 8 0 2 1.969 .48 180 -8 0 6 1.595 .48 180 8 6 0 1.510 .51 180 24 8 4 1.568 .49 180 -8 6 2 1.504 .49 0 6 0 0 2.144 .25 0 -8 8 2 1.728 .49 0 8 8 26 1.647 .50 180 -4 0 2 2.136 .68 180 -6 0 4 1.991 .45 0 14 6 2 1.592 .49 0 -22 6 26 1.505 .52 180 22 8 4 1.681 .49 180 6 6 2 1.623 .48 0 20 0 6 1.844 .51 180 2 0 4 2.109 .71 0 -12 8 26 1.794 .49 180 0 8 0 1.912 .00 180 28 6 0 1.684 .49 180 -2 8 4 1.738 .52 180 -2 0 2 2.291 .12 180 -20 8 6 1.517 .49 0 24 6 4 1.587 .50 180 -8 6 4 1.562 .50 180 -14 6 2 1.680 .49 0 6 8 6 1.548 .51 0 14 6 0 1.740 .50 180 24 2 2 1.568 .50 180 -10 6 2 1.712 .49 0 20 8 4 1.807 .58 180 14 6 4 1.645 .49 180 8 8 6 1.599 .49 0 0 2 26 1.536 .53 0 -4 0 4 2.257 .92 0 -8 2 4 1.515 .50 0 10 0 6 2.007 .81 180 12 8 2 2.019 .48 0 12 6 4 1.704 .49 180 -2 8 26 1.952 .48 180 16 8 4 1.901 .48 180 12 8 24 1.772 .49 0 -28 6 4 1.658 .49 180 10 2 4 1.559 .49 0 -18 0 4 2.373 .65 0 14 6 6 1.571 .49 0 -4 6 6 1.541 .49 0 4 6 6 1.575 .49 0 14 2 0 1.795 .48 0 -10 2 2 1.759 .49 180 -12 6 4 1.769 .50 180 14 8 0 2.231 .51 180 -8 0 20 1.541 .30 180 -22 6 6 1.546 .51 0 10 30 0 1.583 .49 180 12 2 4 1.676 .49 0 2 6 6 1.685 .49 0 8 0 6 2.298 .48 180 16 6 6 1.724 .49 0 0 0 6 2.303 .58 180 0 8 2 2.337 .49 0 8 2 4 1.768 .55 0 -16 6 6 1.738 .49 0 0 32 2 1.513 .49 0 24 6 6 1.842 .50 0 -22 2 6 1.607 .49 180 4 0 2 3.051 .67 180 2 30 2 1.748 .49 0 -6 2 24 1.803 .49 180 -12 6 22 1.578 .56 180 -18 2 24 1.865 .49 180 6 32 0 1.622 .49 180 16 14 0 1.513 .50 0 2 8 20 1.537 .51 0 -12 8 2 2.605 .52 0 -12 8 4 2.422 .50 180 6 6 8 1.609 .50 180 -24 6 8 1.510 .51 180 -22 6 2 2.347 .48 0 -2 30 4 1.739 .54 180 16 8 2 2.695 .48 0 -12 6 8 1.586 .49 180 -16 6 24 2.028 .55 0 12 8 8 1.785 .49 180 12 14 0 1.607 .49 0 -4 30 2 1.914 .52 0 -6 6 4 2.255 .48 180 -18 2 6 1.804 .51 180 -18 6 24 2.062 .50 0 -14 8 20 1.665 .49 0 16 6 4 2.317 .49 180 16 14 4 1.537 .51 0 14 14 0 1.633 .49 0 4 6 0 2.546 .48 180 4 0 4 3.257 .53 0 -6 0 6 3.049 .36 180 2 6 0 2.915 .49 180 -2 2 2 2.936 .47 180 0 6 0 3.227 .98 180 2 2 2 2.500 .48 180 6 2 6 2.414 .53 180 -4 4 4 2.494 .69 180 -8 12 4 2.440 .49 0 -4 14 2 2.172 .49 180 0 10 10 2.615 .51 0 -2 10 2 2.331 .48 0 0 4 4 2.259 .50 180 -8 20 10 2.641 .48 0 -6 18 8 2.425 .49 0 -2 4 4 2.094 .48 180 -2 12 14 2.464 .49 180 -12 8 8 2.322 .48 180 -12 18 14 2.307 .52 0 10 4 2 2.313 .49 0 0 2 8 1.954 .49 0 -4 4 14 2.218 .51 0 6 12 0 2.008 .50 0 -4 10 12 2.099 .50 180 -12 4 20 2.378 .48 0 -10 6 18 2.402 .48 180 10 14 4 2.010 .49 0 -2 2 10 1.833 .51 180 6 10 10 2.022 .49 0 -12 0 10 2.361 .24 180 -6 10 14 2.138 .49 180 4 6 12 2.116 .48 180 -16 10 10 2.271 .49 0 0 4 14 1.930 .48 0 -2 10 6 1.662 .57 0 -8 12 6 1.860 .49 180 Expected value of Sigma-1 = .626 Calculated value from given atoms = .318 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 0 1.559 0 phase fixed for INIT and PHAN stages 4 0 0 1.587 0 phase fixed for INIT and PHAN stages 15 19 13 1.508 180 phase fixed for INIT and PHAN stages 15 4 1 1.533 0 phase fixed for INIT and PHAN stages 15 26 0 1.510 180 phase fixed for INIT and PHAN stages 16 0 2 1.594 180 phase fixed for INIT and PHAN stages -15 4 1 1.561 0 phase fixed for INIT and PHAN stages 7 3 16 1.501 0 phase fixed for INIT and PHAN stages -9 19 15 1.630 0 phase fixed for INIT and PHAN stages 13 3 14 1.533 180 phase fixed for INIT and PHAN stages -7 27 15 1.504 180 phase fixed for INIT and PHAN stages -10 15 14 1.508 0 phase fixed for INIT and PHAN stages -4 1 13 1.535 180 phase fixed for INIT and PHAN stages -9 4 1 1.632 0 phase fixed for INIT and PHAN stages 22 1 15 1.531 0 phase fixed for INIT and PHAN stages -1 4 3 1.563 180 phase fixed for INIT and PHAN stages 8 23 18 1.545 180 phase fixed for INIT and PHAN stages -12 0 4 1.568 0 phase fixed for INIT and PHAN stages -2 22 3 1.594 180 phase fixed for INIT and PHAN stages -2 1 13 1.567 180 phase fixed for INIT and PHAN stages 11 3 16 1.590 0 phase fixed for INIT and PHAN stages -3 4 1 1.682 0 phase fixed for INIT and PHAN stages 7 3 18 1.508 180 phase fixed for INIT and PHAN stages 22 16 1 1.515 180 phase fixed for INIT and PHAN stages 16 15 14 1.551 0 phase fixed for INIT and PHAN stages 0 1 13 1.605 180 phase fixed for INIT and PHAN stages 18 1 17 1.537 180 phase fixed for INIT and PHAN stages 2 0 2 1.769 180 phase fixed for INIT and PHAN stages 18 22 3 1.661 180 phase fixed for INIT and PHAN stages -21 4 1 1.722 0 phase fixed for INIT and PHAN stages -2 23 10 1.593 180 phase fixed for INIT and PHAN stages -4 15 16 1.583 180 phase fixed for INIT and PHAN stages -12 1 13 1.656 180 phase fixed for INIT and PHAN stages -21 19 15 1.806 0 phase fixed for INIT and PHAN stages -22 7 15 1.570 180 phase fixed for INIT and PHAN stages -1 19 13 1.783 180 phase fixed for INIT and PHAN stages 2 8 0 1.540 180 phase fixed for INIT and PHAN stages 0 30 1 1.528 180 phase fixed for INIT and PHAN stages 11 4 1 1.788 0 phase fixed for INIT and PHAN stages -19 20 4 1.504 0 phase fixed for INIT and PHAN stages 16 22 5 1.564 0 phase fixed for INIT and PHAN stages 10 30 1 1.538 180 phase fixed for INIT and PHAN stages -24 1 13 1.715 180 phase fixed for INIT and PHAN stages -2 23 18 1.703 180 phase fixed for INIT and PHAN stages 15 20 2 1.649 180 phase fixed for INIT and PHAN stages 11 4 3 1.720 180 phase fixed for INIT and PHAN stages 3 4 1 1.806 0 phase fixed for INIT and PHAN stages -7 18 2 1.680 180 phase fixed for INIT and PHAN stages -21 3 10 1.580 180 phase fixed for INIT and PHAN stages 17 26 0 1.788 180 phase fixed for INIT and PHAN stages 3 3 12 1.693 0 phase fixed for INIT and PHAN stages 7 20 0 1.703 0 phase fixed for INIT and PHAN stages -9 19 13 1.855 180 phase fixed for INIT and PHAN stages -22 0 6 1.507 180 phase fixed for INIT and PHAN stages -17 18 24 1.503 180 phase fixed for INIT and PHAN stages -4 1 19 1.518 0 phase fixed for INIT and PHAN stages -4 1 17 1.670 180 phase fixed for INIT and PHAN stages -20 8 28 1.551 0 phase fixed for INIT and PHAN stages -6 8 2 1.552 0 phase fixed for INIT and PHAN stages -21 3 18 1.653 180 phase fixed for INIT and PHAN stages -18 1 17 1.692 180 phase fixed for INIT and PHAN stages -15 25 15 1.561 180 phase fixed for INIT and PHAN stages 10 8 0 1.607 180 phase fixed for INIT and PHAN stages 4 7 13 1.629 0 phase fixed for INIT and PHAN stages -15 4 25 1.699 180 phase fixed for INIT and PHAN stages -13 4 5 1.605 0 phase fixed for INIT and PHAN stages -12 15 12 1.699 180 phase fixed for INIT and PHAN stages -9 20 2 1.717 180 phase fixed for INIT and PHAN stages -11 27 13 1.767 0 phase fixed for INIT and PHAN stages 10 22 1 1.916 0 phase fixed for INIT and PHAN stages 26 14 1 1.512 180 phase fixed for INIT and PHAN stages 11 18 2 1.769 180 phase fixed for INIT and PHAN stages -14 8 28 1.604 0 phase fixed for INIT and PHAN stages 10 1 11 1.687 0 phase fixed for INIT and PHAN stages 8 0 2 1.969 180 phase fixed for INIT and PHAN stages -9 5 14 1.637 180 phase fixed for INIT and PHAN stages -20 15 14 1.784 0 phase fixed for INIT and PHAN stages -8 0 6 1.595 180 phase fixed for INIT and PHAN stages -13 20 4 1.616 0 phase fixed for INIT and PHAN stages 25 18 0 1.822 0 phase fixed for INIT and PHAN stages -6 30 3 1.566 0 phase fixed for INIT and PHAN stages 19 20 4 1.644 0 phase fixed for INIT and PHAN stages -16 21 16 1.540 0 phase fixed for INIT and PHAN stages 14 24 1 1.690 0 phase fixed for INIT and PHAN stages 5 20 4 1.648 0 phase fixed for INIT and PHAN stages 3 19 19 1.743 0 phase fixed for INIT and PHAN stages -8 22 5 1.695 0 phase fixed for INIT and PHAN stages -4 1 15 1.875 0 phase fixed for INIT and PHAN stages 4 7 11 1.623 180 phase fixed for INIT and PHAN stages 8 6 0 1.510 180 phase fixed for INIT and PHAN stages -4 15 18 1.690 0 phase fixed for INIT and PHAN stages -4 30 3 1.616 0 phase fixed for INIT and PHAN stages 22 1 13 1.847 180 phase fixed for INIT and PHAN stages 10 16 3 1.714 0 phase fixed for INIT and PHAN stages -23 18 2 1.850 180 phase fixed for INIT and PHAN stages 4 16 5 1.554 180 phase fixed for INIT and PHAN stages 2 15 18 1.705 0 phase fixed for INIT and PHAN stages 24 8 4 1.568 180 phase fixed for INIT and PHAN stages -17 3 8 1.523 0 phase fixed for INIT and PHAN stages -8 6 2 1.504 0 phase fixed for INIT and PHAN stages -19 3 20 1.605 0 phase fixed for INIT and PHAN stages 3 25 19 1.511 180 phase fixed for INIT and PHAN stages -5 19 9 1.744 180 phase fixed for INIT and PHAN stages -1 20 6 1.511 180 phase fixed for INIT and PHAN stages 6 0 0 2.144 0 phase fixed for INIT and PHAN stages -12 23 20 1.701 0 phase fixed for INIT and PHAN stages 9 27 9 1.591 0 phase fixed for INIT and PHAN stages 19 20 0 1.898 0 phase fixed for INIT and PHAN stages -16 7 11 1.704 180 phase fixed for INIT and PHAN stages 6 16 1 1.834 180 phase fixed for INIT and PHAN stages -6 7 9 1.515 0 phase fixed for INIT and PHAN stages -8 8 2 1.728 0 phase fixed for INIT and PHAN stages -15 25 11 1.622 180 phase fixed for INIT and PHAN stages 1 20 24 1.601 180 phase fixed for INIT and PHAN stages -1 4 25 1.846 180 phase fixed for INIT and PHAN stages 8 8 26 1.647 180 phase fixed for INIT and PHAN stages -1 12 28 1.530 0 phase fixed for INIT and PHAN stages -10 7 11 1.726 180 phase fixed for INIT and PHAN stages -4 0 2 2.136 180 phase fixed for INIT and PHAN stages 12 15 18 1.755 0 phase fixed for INIT and PHAN stages -20 16 5 1.582 180 phase fixed for INIT and PHAN stages 13 11 13 1.519 0 phase fixed for INIT and PHAN stages -20 1 19 1.729 0 phase fixed for INIT and PHAN stages 1 20 6 1.551 180 phase fixed for INIT and PHAN stages 5 3 20 1.659 0 phase fixed for INIT and PHAN stages -6 0 4 1.991 0 phase fixed for INIT and PHAN stages 24 14 1 1.662 180 phase fixed for INIT and PHAN stages -25 5 12 1.747 0 phase fixed for INIT and PHAN stages 21 20 2 1.909 180 phase fixed for INIT and PHAN stages 1 18 2 1.942 180 phase fixed for INIT and PHAN stages -16 1 13 1.988 180 phase fixed for INIT and PHAN stages 12 7 15 1.845 180 phase fixed for INIT and PHAN stages -6 22 1 2.117 0 phase fixed for INIT and PHAN stages 8 30 1 1.795 180 phase fixed for INIT and PHAN stages -3 3 18 1.880 180 phase fixed for INIT and PHAN stages -19 4 3 1.991 180 phase fixed for INIT and PHAN stages 1 3 20 1.674 0 phase fixed for INIT and PHAN stages -5 5 10 1.620 180 phase fixed for INIT and PHAN stages -18 1 19 1.756 0 phase fixed for INIT and PHAN stages -6 7 11 1.755 180 phase fixed for INIT and PHAN stages 6 1 19 1.749 0 phase fixed for INIT and PHAN stages 10 7 19 1.662 180 phase fixed for INIT and PHAN stages 14 6 2 1.592 0 phase fixed for INIT and PHAN stages -7 4 5 1.825 0 phase fixed for INIT and PHAN stages -12 7 9 1.588 0 phase fixed for INIT and PHAN stages 6 29 12 1.594 180 phase fixed for INIT and PHAN stages 1 19 21 1.636 180 phase fixed for INIT and PHAN stages -10 1 11 1.915 0 phase fixed for INIT and PHAN stages -22 6 26 1.505 180 phase fixed for INIT and PHAN stages -9 12 26 1.513 180 phase fixed for INIT and PHAN stages 7 19 7 1.507 0 phase fixed for INIT and PHAN stages -1 3 12 1.997 0 phase fixed for INIT and PHAN stages -6 7 15 1.903 180 phase fixed for INIT and PHAN stages 17 20 2 1.964 180 phase fixed for INIT and PHAN stages 8 23 8 1.687 0 phase fixed for INIT and PHAN stages 8 1 19 1.775 0 phase fixed for INIT and PHAN stages 22 8 4 1.681 180 phase fixed for INIT and PHAN stages 1 18 6 1.619 180 phase fixed for INIT and PHAN stages -10 1 21 1.533 180 phase fixed for INIT and PHAN stages 3 18 6 1.630 180 phase fixed for INIT and PHAN stages 6 6 2 1.623 0 phase fixed for INIT and PHAN stages -19 11 12 1.526 180 phase fixed for INIT and PHAN stages 2 15 20 1.630 180 phase fixed for INIT and PHAN stages -10 30 1 1.854 180 phase fixed for INIT and PHAN stages -10 22 3 2.088 180 phase fixed for INIT and PHAN stages 6 21 14 1.747 180 phase fixed for INIT and PHAN stages 5 19 7 1.543 0 phase fixed for INIT and PHAN stages 19 12 2 1.662 0 phase fixed for INIT and PHAN stages -24 7 9 1.647 0 phase fixed for INIT and PHAN stages 7 2 1 1.676 0 phase fixed for INIT and PHAN stages -4 7 13 1.921 0 phase fixed for INIT and PHAN stages 13 18 6 1.645 180 phase fixed for INIT and PHAN stages 8 30 3 1.787 0 phase fixed for INIT and PHAN stages 20 0 6 1.844 180 phase fixed for INIT and PHAN stages -9 4 5 1.879 0 phase fixed for INIT and PHAN stages -25 11 12 1.550 180 phase fixed for INIT and PHAN stages 2 0 4 2.109 0 phase fixed for INIT and PHAN stages 3 5 18 1.698 180 phase fixed for INIT and PHAN stages -12 8 26 1.794 180 phase fixed for INIT and PHAN stages -22 9 15 1.508 180 phase fixed for INIT and PHAN stages 0 8 0 1.912 180 phase fixed for INIT and PHAN stages 12 22 5 1.929 0 phase fixed for INIT and PHAN stages -11 5 10 1.708 180 phase fixed for INIT and PHAN stages 16 7 11 1.797 180 phase fixed for INIT and PHAN stages -9 18 6 1.666 180 phase fixed for INIT and PHAN stages 28 6 0 1.684 180 phase fixed for INIT and PHAN stages 9 11 17 1.559 0 phase fixed for INIT and PHAN stages -2 8 4 1.738 180 phase fixed for INIT and PHAN stages -15 25 9 1.569 0 phase fixed for INIT and PHAN stages -15 11 13 1.647 0 phase fixed for INIT and PHAN stages 17 2 3 1.633 180 phase fixed for INIT and PHAN stages -2 0 2 2.291 180 phase fixed for INIT and PHAN stages -10 16 27 1.903 180 phase fixed for INIT and PHAN stages -20 8 6 1.517 0 phase fixed for INIT and PHAN stages 14 24 3 1.856 180 phase fixed for INIT and PHAN stages -11 20 4 1.886 0 phase fixed for INIT and PHAN stages 24 6 4 1.587 180 phase fixed for INIT and PHAN stages -2 31 10 1.551 0 phase fixed for INIT and PHAN stages -6 16 5 1.741 180 phase fixed for INIT and PHAN stages -8 6 4 1.562 180 phase fixed for INIT and PHAN stages 11 20 0 2.115 0 phase fixed for INIT and PHAN stages -13 25 15 1.906 180 phase fixed for INIT and PHAN stages -3 20 6 1.682 180 phase fixed for INIT and PHAN stages 13 4 5 1.951 0 phase fixed for INIT and PHAN stages -14 6 2 1.680 0 phase fixed for INIT and PHAN stages 6 8 6 1.548 0 phase fixed for INIT and PHAN stages -8 14 29 1.762 0 phase fixed for INIT and PHAN stages -9 28 4 1.532 180 phase fixed for INIT and PHAN stages -3 5 14 1.943 180 phase fixed for INIT and PHAN stages 14 6 0 1.740 180 phase fixed for INIT and PHAN stages -12 7 11 1.903 180 phase fixed for INIT and PHAN stages 12 21 12 1.768 0 phase fixed for INIT and PHAN stages 0 7 15 2.030 180 phase fixed for INIT and PHAN stages -10 22 5 1.982 0 phase fixed for INIT and PHAN stages -10 16 1 2.052 180 phase fixed for INIT and PHAN stages -8 22 1 2.316 0 phase fixed for INIT and PHAN stages 24 2 2 1.568 180 phase fixed for INIT and PHAN stages 7 11 18 1.539 0 phase fixed for INIT and PHAN stages -4 15 12 2.069 180 phase fixed for INIT and PHAN stages -10 6 2 1.712 0 phase fixed for INIT and PHAN stages -5 11 15 1.711 180 phase fixed for INIT and PHAN stages -8 14 3 1.758 0 phase fixed for INIT and PHAN stages -2 16 3 1.977 0 phase fixed for INIT and PHAN stages 20 8 4 1.807 180 phase fixed for INIT and PHAN stages -27 11 12 1.634 180 phase fixed for INIT and PHAN stages 5 17 13 1.615 180 phase fixed for INIT and PHAN stages 11 27 9 1.816 0 phase fixed for INIT and PHAN stages 7 12 4 1.653 180 phase fixed for INIT and PHAN stages 15 10 3 1.504 0 phase fixed for INIT and PHAN stages -9 18 4 2.002 0 phase fixed for INIT and PHAN stages 0 17 18 1.528 0 phase fixed for INIT and PHAN stages 15 2 3 1.711 180 phase fixed for INIT and PHAN stages 14 6 4 1.645 180 phase fixed for INIT and PHAN stages 7 4 7 1.701 180 phase fixed for INIT and PHAN stages -13 21 13 1.542 180 phase fixed for INIT and PHAN stages -13 3 14 2.275 180 phase fixed for INIT and PHAN stages 8 8 6 1.599 0 phase fixed for INIT and PHAN stages -13 3 10 2.036 180 phase fixed for INIT and PHAN stages 0 2 26 1.536 0 phase fixed for INIT and PHAN stages 21 11 12 1.595 180 phase fixed for INIT and PHAN stages 11 5 10 1.796 180 phase fixed for INIT and PHAN stages -4 21 10 1.701 180 phase fixed for INIT and PHAN stages -9 2 3 1.721 180 phase fixed for INIT and PHAN stages -1 4 1 2.361 0 phase fixed for INIT and PHAN stages -2 1 11 2.108 0 phase fixed for INIT and PHAN stages -4 0 4 2.257 0 phase fixed for INIT and PHAN stages -15 3 12 2.230 0 phase fixed for INIT and PHAN stages -21 11 13 1.759 0 phase fixed for INIT and PHAN stages 12 1 7 1.551 0 phase fixed for INIT and PHAN stages -5 19 7 1.697 0 phase fixed for INIT and PHAN stages -14 7 13 2.097 0 phase fixed for INIT and PHAN stages -25 5 8 1.588 0 phase fixed for INIT and PHAN stages -12 1 21 1.684 180 phase fixed for INIT and PHAN stages -22 1 7 1.611 0 phase fixed for INIT and PHAN stages -19 11 19 1.531 180 phase fixed for INIT and PHAN stages -6 9 11 1.555 180 phase fixed for INIT and PHAN stages -8 2 4 1.515 0 phase fixed for INIT and PHAN stages 10 0 6 2.007 180 phase fixed for INIT and PHAN stages 1 12 2 1.815 0 phase fixed for INIT and PHAN stages 12 8 2 2.019 0 phase fixed for INIT and PHAN stages 11 5 16 1.978 0 phase fixed for INIT and PHAN stages -11 3 12 2.253 0 phase fixed for INIT and PHAN stages -9 11 13 1.776 0 phase fixed for INIT and PHAN stages 5 11 16 1.708 180 phase fixed for INIT and PHAN stages 4 17 12 1.591 180 phase fixed for INIT and PHAN stages -2 17 14 1.670 0 phase fixed for INIT and PHAN stages 25 12 0 1.868 180 phase fixed for INIT and PHAN stages 15 28 0 1.806 180 phase fixed for INIT and PHAN stages -18 22 7 1.754 180 phase fixed for INIT and PHAN stages -1 19 9 2.072 180 phase fixed for INIT and PHAN stages 12 6 4 1.704 180 phase fixed for INIT and PHAN stages -2 8 26 1.952 180 phase fixed for INIT and PHAN stages -1 12 6 1.510 0 phase fixed for INIT and PHAN stages 2 14 5 1.655 180 phase fixed for INIT and PHAN stages -3 5 16 2.027 0 phase fixed for INIT and PHAN stages 16 8 4 1.901 180 phase fixed for INIT and PHAN stages -10 9 11 1.587 180 phase fixed for INIT and PHAN stages 12 8 24 1.772 0 phase fixed for INIT and PHAN stages -26 16 3 2.055 0 phase fixed for INIT and PHAN stages -11 28 4 1.647 180 phase fixed for INIT and PHAN stages 1 13 17 1.564 0 phase fixed for INIT and PHAN stages -9 21 11 1.517 0 phase fixed for INIT and PHAN stages -20 1 15 2.338 0 phase fixed for INIT and PHAN stages -19 11 11 1.721 180 phase fixed for INIT and PHAN stages -3 21 11 1.514 0 phase fixed for INIT and PHAN stages 1 4 1 2.449 0 phase fixed for INIT and PHAN stages 13 11 10 1.533 0 phase fixed for INIT and PHAN stages 14 24 7 1.547 180 phase fixed for INIT and PHAN stages -13 13 17 1.565 0 phase fixed for INIT and PHAN stages 9 3 18 2.189 180 phase fixed for INIT and PHAN stages -28 6 4 1.658 180 phase fixed for INIT and PHAN stages 5 4 21 1.576 180 phase fixed for INIT and PHAN stages 10 2 4 1.559 0 phase fixed for INIT and PHAN stages -27 5 18 1.922 180 phase fixed for INIT and PHAN stages -23 17 15 1.738 0 phase fixed for INIT and PHAN stages 0 1 19 2.050 0 phase fixed for INIT and PHAN stages -17 5 18 1.929 180 phase fixed for INIT and PHAN stages -17 2 1 1.895 0 phase fixed for INIT and PHAN stages 18 23 6 1.522 180 phase fixed for INIT and PHAN stages -17 5 14 2.130 180 phase fixed for INIT and PHAN stages 21 12 4 1.780 180 phase fixed for INIT and PHAN stages 10 16 5 1.946 180 phase fixed for INIT and PHAN stages -7 5 20 1.687 0 phase fixed for INIT and PHAN stages 23 11 11 1.713 180 phase fixed for INIT and PHAN stages -18 0 4 2.373 0 phase fixed for INIT and PHAN stages 14 6 6 1.571 0 phase fixed for INIT and PHAN stages -7 11 11 1.755 180 phase fixed for INIT and PHAN stages -16 7 17 2.150 0 phase fixed for INIT and PHAN stages 11 26 8 1.613 180 phase fixed for INIT and PHAN stages 11 26 6 1.977 0 phase fixed for INIT and PHAN stages 4 1 21 1.775 180 phase fixed for INIT and PHAN stages -3 10 1 1.676 180 phase fixed for INIT and PHAN stages -4 6 6 1.541 0 phase fixed for INIT and PHAN stages -11 17 15 1.765 0 phase fixed for INIT and PHAN stages -14 22 7 1.834 180 phase fixed for INIT and PHAN stages 16 23 6 1.558 180 phase fixed for INIT and PHAN stages -5 4 7 1.833 180 phase fixed for INIT and PHAN stages -19 12 27 1.609 180 phase fixed for INIT and PHAN stages 16 21 10 1.796 180 phase fixed for INIT and PHAN stages -13 28 4 1.712 180 phase fixed for INIT and PHAN stages 8 24 7 1.600 180 phase fixed for INIT and PHAN stages -17 2 23 1.541 0 phase fixed for INIT and PHAN stages 5 12 2 1.933 0 phase fixed for INIT and PHAN stages 24 9 11 1.656 180 phase fixed for INIT and PHAN stages 4 6 6 1.575 0 phase fixed for INIT and PHAN stages 1 4 3 2.424 180 phase fixed for INIT and PHAN stages -11 11 17 1.812 0 phase fixed for INIT and PHAN stages -8 17 10 1.568 0 phase fixed for INIT and PHAN stages 14 2 0 1.795 0 phase fixed for INIT and PHAN stages 7 3 20 2.040 0 phase fixed for INIT and PHAN stages -19 2 23 1.562 0 phase fixed for INIT and PHAN stages -10 2 2 1.759 180 phase fixed for INIT and PHAN stages 5 17 11 1.705 0 phase fixed for INIT and PHAN stages -12 6 4 1.769 180 phase fixed for INIT and PHAN stages -17 4 5 2.194 0 phase fixed for INIT and PHAN stages 14 8 0 2.231 180 phase fixed for INIT and PHAN stages 0 15 8 1.842 180 phase fixed for INIT and PHAN stages -13 10 27 1.617 180 phase fixed for INIT and PHAN stages -8 0 20 1.541 180 phase fixed for INIT and PHAN stages 4 30 7 1.618 0 phase fixed for INIT and PHAN stages -3 10 3 1.649 0 phase fixed for INIT and PHAN stages -1 17 17 1.709 180 phase fixed for INIT and PHAN stages 10 22 7 1.913 180 phase fixed for INIT and PHAN stages -13 12 4 1.818 180 phase fixed for INIT and PHAN stages 23 3 14 2.464 180 phase fixed for INIT and PHAN stages 8 24 5 1.949 0 phase fixed for INIT and PHAN stages -9 10 3 1.648 0 phase fixed for INIT and PHAN stages 15 12 6 1.646 0 phase fixed for INIT and PHAN stages -22 6 6 1.546 0 phase fixed for INIT and PHAN stages -6 7 19 2.045 180 phase fixed for INIT and PHAN stages -15 2 1 1.992 0 phase fixed for INIT and PHAN stages 15 10 5 1.552 180 phase fixed for INIT and PHAN stages -11 12 4 1.828 180 phase fixed for INIT and PHAN stages 5 10 5 1.533 180 phase fixed for INIT and PHAN stages 5 20 0 2.443 0 phase fixed for INIT and PHAN stages 2 16 7 1.727 0 phase fixed for INIT and PHAN stages -6 7 21 1.773 0 phase fixed for INIT and PHAN stages -13 26 8 1.646 180 phase fixed for INIT and PHAN stages 10 30 0 1.583 180 phase fixed for INIT and PHAN stages 6 16 5 2.042 180 phase fixed for INIT and PHAN stages 13 25 11 2.013 180 phase fixed for INIT and PHAN stages -12 22 7 1.914 180 phase fixed for INIT and PHAN stages -13 2 1 2.014 0 phase fixed for INIT and PHAN stages 10 1 15 2.485 0 phase fixed for INIT and PHAN stages 17 4 1 2.634 0 phase fixed for INIT and PHAN stages -20 15 6 1.534 0 phase fixed for INIT and PHAN stages 9 10 5 1.562 180 phase fixed for INIT and PHAN stages -1 5 8 1.759 0 phase fixed for INIT and PHAN stages 12 2 4 1.676 0 phase fixed for INIT and PHAN stages -5 2 23 1.575 0 phase fixed for INIT and PHAN stages 12 24 5 1.989 0 phase fixed for INIT and PHAN stages 8 17 10 1.589 0 phase fixed for INIT and PHAN stages 15 13 13 1.655 0 phase fixed for INIT and PHAN stages -19 5 16 2.235 0 phase fixed for INIT and PHAN stages -3 12 1 1.724 180 phase fixed for INIT and PHAN stages 9 25 7 1.506 180 phase fixed for INIT and PHAN stages 13 4 1 2.676 0 phase fixed for INIT and PHAN stages -23 21 9 1.506 180 phase fixed for INIT and PHAN stages 7 21 17 1.698 180 phase fixed for INIT and PHAN stages -8 16 21 1.512 0 phase fixed for INIT and PHAN stages -15 2 25 1.841 180 phase fixed for INIT and PHAN stages -5 11 11 1.880 180 phase fixed for INIT and PHAN stages -12 30 1 2.298 180 phase fixed for INIT and PHAN stages -13 13 15 1.761 180 phase fixed for INIT and PHAN stages 4 25 14 1.525 180 phase fixed for INIT and PHAN stages -4 7 19 2.123 180 phase fixed for INIT and PHAN stages 9 6 1 1.545 0 phase fixed for INIT and PHAN stages -4 16 3 2.319 0 phase fixed for INIT and PHAN stages 9 18 6 2.043 180 phase fixed for INIT and PHAN stages -13 3 8 2.046 0 phase fixed for INIT and PHAN stages -15 5 12 2.273 0 phase fixed for INIT and PHAN stages -15 3 8 2.054 0 phase fixed for INIT and PHAN stages -13 12 6 1.672 0 phase fixed for INIT and PHAN stages 3 21 15 1.798 0 phase fixed for INIT and PHAN stages 2 6 6 1.685 0 phase fixed for INIT and PHAN stages -11 11 20 1.631 180 phase fixed for INIT and PHAN stages 12 25 12 1.511 0 phase fixed for INIT and PHAN stages 6 7 19 2.147 180 phase fixed for INIT and PHAN stages 8 0 6 2.298 180 phase fixed for INIT and PHAN stages 9 5 20 1.829 0 phase fixed for INIT and PHAN stages -5 4 9 1.520 0 phase fixed for INIT and PHAN stages 16 6 6 1.724 0 phase fixed for INIT and PHAN stages -29 3 18 2.458 180 phase fixed for INIT and PHAN stages -7 12 3 1.690 0 phase fixed for INIT and PHAN stages -9 10 24 1.509 0 phase fixed for INIT and PHAN stages 7 10 24 1.515 0 phase fixed for INIT and PHAN stages 0 21 20 1.797 0 phase fixed for INIT and PHAN stages 0 0 6 2.303 180 phase fixed for INIT and PHAN stages 7 12 3 1.689 0 phase fixed for INIT and PHAN stages -29 10 5 1.526 180 phase fixed for INIT and PHAN stages 0 8 2 2.337 0 phase fixed for INIT and PHAN stages -9 5 10 2.132 180 phase fixed for INIT and PHAN stages -19 12 25 1.679 0 phase fixed for INIT and PHAN stages 8 2 4 1.768 0 phase fixed for INIT and PHAN stages -13 11 14 2.025 0 phase fixed for INIT and PHAN stages -14 7 15 2.493 180 phase fixed for INIT and PHAN stages 12 9 11 1.826 180 phase fixed for INIT and PHAN stages -7 17 15 1.960 0 phase fixed for INIT and PHAN stages 9 10 3 1.805 0 phase fixed for INIT and PHAN stages -20 9 17 1.814 0 phase fixed for INIT and PHAN stages 14 7 23 1.542 180 phase fixed for INIT and PHAN stages -5 17 11 1.871 0 phase fixed for INIT and PHAN stages -2 17 20 1.669 180 phase fixed for INIT and PHAN stages -5 12 23 1.521 180 phase fixed for INIT and PHAN stages -15 21 19 1.643 0 phase fixed for INIT and PHAN stages -23 3 6 1.725 180 phase fixed for INIT and PHAN stages 9 20 8 1.725 0 phase fixed for INIT and PHAN stages 2 17 16 1.951 180 phase fixed for INIT and PHAN stages -8 9 15 1.926 180 phase fixed for INIT and PHAN stages -29 4 9 1.534 0 phase fixed for INIT and PHAN stages 0 32 1 1.583 180 phase fixed for INIT and PHAN stages -5 18 20 1.559 180 phase fixed for INIT and PHAN stages 3 3 10 2.429 180 phase fixed for INIT and PHAN stages 11 17 9 1.698 180 phase fixed for INIT and PHAN stages -14 8 1 1.606 0 phase fixed for INIT and PHAN stages 22 15 6 1.565 0 phase fixed for INIT and PHAN stages -7 17 9 1.701 180 phase fixed for INIT and PHAN stages 3 18 4 2.459 0 phase fixed for INIT and PHAN stages 23 5 14 2.397 180 phase fixed for INIT and PHAN stages -3 6 3 1.553 180 phase fixed for INIT and PHAN stages 17 4 21 1.803 180 phase fixed for INIT and PHAN stages 13 25 7 1.612 180 phase fixed for INIT and PHAN stages 7 20 8 1.754 0 phase fixed for INIT and PHAN stages -4 28 1 1.643 180 phase fixed for INIT and PHAN stages -6 15 22 1.782 0 phase fixed for INIT and PHAN stages 11 5 6 1.525 180 phase fixed for INIT and PHAN stages -15 6 3 1.577 180 phase fixed for INIT and PHAN stages 25 5 6 1.518 180 phase fixed for INIT and PHAN stages -16 6 6 1.738 0 phase fixed for INIT and PHAN stages 9 10 25 1.565 0 phase fixed for INIT and PHAN stages 11 12 1 1.874 180 phase fixed for INIT and PHAN stages 9 10 4 1.536 180 phase fixed for INIT and PHAN stages -9 2 1 2.223 0 phase fixed for INIT and PHAN stages -15 5 22 1.589 180 phase fixed for INIT and PHAN stages 0 32 2 1.513 0 phase fixed for INIT and PHAN stages -19 10 28 1.711 0 phase fixed for INIT and PHAN stages 24 6 6 1.842 0 phase fixed for INIT and PHAN stages -22 2 6 1.607 180 phase fixed for INIT and PHAN stages -1 2 3 2.137 180 phase fixed for INIT and PHAN stages -9 4 7 2.111 180 phase fixed for INIT and PHAN stages -3 11 20 1.751 180 phase fixed for INIT and PHAN stages -1 3 20 2.333 0 phase fixed for INIT and PHAN stages -5 11 12 2.045 180 phase fixed for INIT and PHAN stages 2 17 8 1.525 180 phase fixed for INIT and PHAN stages -17 11 7 1.546 180 phase fixed for INIT and PHAN stages 3 12 5 1.621 180 phase fixed for INIT and PHAN stages 19 12 3 1.799 0 phase fixed for INIT and PHAN stages -6 21 8 1.846 0 phase fixed for INIT and PHAN stages 25 10 1 1.974 180 phase fixed for INIT and PHAN stages -6 21 10 2.134 180 phase fixed for INIT and PHAN stages -11 11 7 1.553 180 phase fixed for INIT and PHAN stages 4 0 2 3.051 180 phase fixed for INIT and PHAN stages -11 11 10 1.909 0 phase fixed for INIT and PHAN stages 11 4 9 1.665 0 phase fixed for INIT and PHAN stages 2 30 2 1.748 0 phase fixed for INIT and PHAN stages -16 17 18 1.937 0 phase fixed for INIT and PHAN stages -12 25 18 1.520 180 phase fixed for INIT and PHAN stages 3 12 1 1.927 180 phase fixed for INIT and PHAN stages -6 2 24 1.803 180 phase fixed for INIT and PHAN stages 22 7 7 1.748 180 phase fixed for INIT and PHAN stages -1 11 8 1.644 180 phase fixed for INIT and PHAN stages -2 15 20 2.248 180 phase fixed for INIT and PHAN stages -11 10 1 1.989 180 phase fixed for INIT and PHAN stages -10 7 21 2.027 0 phase fixed for INIT and PHAN stages -15 10 5 1.707 180 phase fixed for INIT and PHAN stages -15 10 1 1.993 180 phase fixed for INIT and PHAN stages 7 11 9 1.870 0 phase fixed for INIT and PHAN stages 15 11 12 2.059 180 phase fixed for INIT and PHAN stages -12 6 22 1.578 180 phase fixed for INIT and PHAN stages -12 28 1 1.712 180 phase fixed for INIT and PHAN stages -18 13 14 1.655 0 phase fixed for INIT and PHAN stages 1 17 7 1.510 0 phase fixed for INIT and PHAN stages -17 10 1 2.002 180 phase fixed for INIT and PHAN stages -30 1 15 2.899 0 phase fixed for INIT and PHAN stages -11 13 9 1.624 0 phase fixed for INIT and PHAN stages -9 24 4 1.514 180 phase fixed for INIT and PHAN stages -11 17 7 1.516 0 phase fixed for INIT and PHAN stages -3 17 9 1.818 180 phase fixed for INIT and PHAN stages -24 9 16 1.597 0 phase fixed for INIT and PHAN stages -11 13 15 1.993 180 phase fixed for INIT and PHAN stages -18 2 24 1.865 180 phase fixed for INIT and PHAN stages 3 32 2 1.564 180 phase fixed for INIT and PHAN stages -7 17 13 2.136 180 phase fixed for INIT and PHAN stages -13 10 5 1.742 180 phase fixed for INIT and PHAN stages 6 32 0 1.622 180 phase fixed for INIT and PHAN stages 10 8 5 1.514 0 phase fixed for INIT and PHAN stages 16 14 0 1.513 0 phase fixed for INIT and PHAN stages 1 6 3 1.652 180 phase fixed for INIT and PHAN stages -8 21 6 1.534 180 phase fixed for INIT and PHAN stages 5 5 22 1.657 180 phase fixed for INIT and PHAN stages -10 28 3 1.661 0 phase fixed for INIT and PHAN stages 9 12 8 1.596 180 phase fixed for INIT and PHAN stages 13 11 14 2.192 0 phase fixed for INIT and PHAN stages -12 15 6 1.776 0 phase fixed for INIT and PHAN stages -15 11 10 1.994 0 phase fixed for INIT and PHAN stages 2 8 20 1.537 0 phase fixed for INIT and PHAN stages -18 9 12 1.561 0 phase fixed for INIT and PHAN stages -12 8 2 2.605 0 phase fixed for INIT and PHAN stages 1 13 19 1.865 180 phase fixed for INIT and PHAN stages -7 20 4 2.616 0 phase fixed for INIT and PHAN stages -3 5 6 1.643 180 phase fixed for INIT and PHAN stages -5 2 7 1.732 180 phase fixed for INIT and PHAN stages -13 12 3 1.907 0 phase fixed for INIT and PHAN stages -12 8 4 2.422 180 phase fixed for INIT and PHAN stages 3 6 3 1.675 180 phase fixed for INIT and PHAN stages -10 16 21 1.758 0 phase fixed for INIT and PHAN stages 21 12 5 1.688 180 phase fixed for INIT and PHAN stages 3 32 1 1.520 180 phase fixed for INIT and PHAN stages -13 28 6 1.827 0 phase fixed for INIT and PHAN stages 15 24 0 1.717 180 phase fixed for INIT and PHAN stages 25 10 5 1.877 180 phase fixed for INIT and PHAN stages 6 6 8 1.609 180 phase fixed for INIT and PHAN stages 15 27 7 2.026 180 phase fixed for INIT and PHAN stages -10 9 16 1.652 0 phase fixed for INIT and PHAN stages -14 28 5 1.526 180 phase fixed for INIT and PHAN stages -2 21 8 1.955 0 phase fixed for INIT and PHAN stages -26 7 16 1.532 0 phase fixed for INIT and PHAN stages 12 21 6 1.530 180 phase fixed for INIT and PHAN stages -4 7 17 2.688 0 phase fixed for INIT and PHAN stages 11 10 24 1.734 0 phase fixed for INIT and PHAN stages -21 10 22 1.512 180 phase fixed for INIT and PHAN stages -16 17 22 1.557 0 phase fixed for INIT and PHAN stages -19 3 24 1.529 0 phase fixed for INIT and PHAN stages -20 15 13 1.514 180 phase fixed for INIT and PHAN stages -7 10 22 1.533 180 phase fixed for INIT and PHAN stages -6 9 14 1.649 180 phase fixed for INIT and PHAN stages -17 13 13 2.034 0 phase fixed for INIT and PHAN stages -24 6 8 1.510 180 phase fixed for INIT and PHAN stages 6 9 19 1.760 180 phase fixed for INIT and PHAN stages 7 24 2 1.710 0 phase fixed for INIT and PHAN stages 1 12 0 2.459 180 phase fixed for INIT and PHAN stages 2 1 9 2.517 180 phase fixed for INIT and PHAN stages -22 14 7 1.819 0 phase fixed for INIT and PHAN stages -16 15 13 1.521 180 phase fixed for INIT and PHAN stages -12 9 11 2.067 180 phase fixed for INIT and PHAN stages -5 32 4 1.513 0 phase fixed for INIT and PHAN stages -5 11 18 2.129 0 phase fixed for INIT and PHAN stages -13 11 17 2.255 0 phase fixed for INIT and PHAN stages 21 5 16 2.604 0 phase fixed for INIT and PHAN stages -13 11 10 2.052 0 phase fixed for INIT and PHAN stages -22 6 2 2.347 0 phase fixed for INIT and PHAN stages -2 30 4 1.739 180 phase fixed for INIT and PHAN stages -4 15 10 2.639 0 phase fixed for INIT and PHAN stages -17 10 24 1.747 0 phase fixed for INIT and PHAN stages -18 7 14 1.595 180 phase fixed for INIT and PHAN stages 16 8 2 2.695 0 phase fixed for INIT and PHAN stages 25 12 5 1.734 180 phase fixed for INIT and PHAN stages -10 8 5 1.555 0 phase fixed for INIT and PHAN stages -17 12 27 2.037 180 phase fixed for INIT and PHAN stages -12 6 8 1.586 180 phase fixed for INIT and PHAN stages 12 5 15 1.528 180 phase fixed for INIT and PHAN stages -16 6 24 2.028 0 phase fixed for INIT and PHAN stages -13 17 7 1.608 0 phase fixed for INIT and PHAN stages -16 9 16 1.702 0 phase fixed for INIT and PHAN stages -5 10 2 1.889 0 phase fixed for INIT and PHAN stages -14 16 5 2.483 180 phase fixed for INIT and PHAN stages 12 8 8 1.785 180 phase fixed for INIT and PHAN stages 12 14 0 1.607 0 phase fixed for INIT and PHAN stages -14 5 13 1.527 0 phase fixed for INIT and PHAN stages -5 19 23 1.956 0 phase fixed for INIT and PHAN stages 13 6 1 1.847 0 phase fixed for INIT and PHAN stages -4 30 2 1.914 0 phase fixed for INIT and PHAN stages 10 28 5 1.652 180 phase fixed for INIT and PHAN stages 3 5 20 2.183 0 phase fixed for INIT and PHAN stages -18 7 5 1.555 0 phase fixed for INIT and PHAN stages 4 17 22 1.655 0 phase fixed for INIT and PHAN stages -6 6 4 2.255 180 phase fixed for INIT and PHAN stages -17 12 6 1.985 0 phase fixed for INIT and PHAN stages -20 9 10 1.522 180 phase fixed for INIT and PHAN stages 5 5 16 2.705 0 phase fixed for INIT and PHAN stages -2 22 9 1.842 0 phase fixed for INIT and PHAN stages -19 24 4 1.616 180 phase fixed for INIT and PHAN stages -18 2 6 1.804 180 phase fixed for INIT and PHAN stages -18 6 24 2.062 0 phase fixed for INIT and PHAN stages -1 12 1 2.121 180 phase fixed for INIT and PHAN stages -14 8 20 1.665 0 phase fixed for INIT and PHAN stages 16 24 9 1.584 0 phase fixed for INIT and PHAN stages -1 19 5 1.755 180 phase fixed for INIT and PHAN stages -6 30 9 1.572 180 phase fixed for INIT and PHAN stages -2 5 17 1.547 0 phase fixed for INIT and PHAN stages -17 24 2 1.760 0 phase fixed for INIT and PHAN stages 16 6 4 2.317 180 phase fixed for INIT and PHAN stages 16 14 4 1.537 0 phase fixed for INIT and PHAN stages 14 14 0 1.633 0 phase fixed for INIT and PHAN stages -7 18 6 2.474 180 phase fixed for INIT and PHAN stages -18 8 3 1.766 180 phase fixed for INIT and PHAN stages -11 10 23 1.621 180 phase fixed for INIT and PHAN stages -17 12 3 2.038 0 phase fixed for INIT and PHAN stages -5 9 18 1.543 0 phase fixed for INIT and PHAN stages -30 7 9 2.516 0 phase fixed for INIT and PHAN stages -6 15 6 1.898 0 phase fixed for INIT and PHAN stages -13 10 23 1.639 180 phase fixed for INIT and PHAN stages 4 20 1 1.561 0 phase fixed for INIT and PHAN stages -1 9 18 1.560 0 phase fixed for INIT and PHAN stages -1 9 16 1.587 180 phase fixed for INIT and PHAN stages 4 6 0 2.546 180 phase fixed for INIT and PHAN stages -12 9 21 1.566 0 phase fixed for INIT and PHAN stages 10 16 9 1.743 180 phase fixed for INIT and PHAN stages -9 17 7 1.665 0 phase fixed for INIT and PHAN stages -3 11 7 1.748 180 phase fixed for INIT and PHAN stages -9 11 20 2.001 180 phase fixed for INIT and PHAN stages 4 24 9 1.621 0 phase fixed for INIT and PHAN stages 23 6 5 1.576 0 phase fixed for INIT and PHAN stages 9 24 6 1.510 0 phase fixed for INIT and PHAN stages 8 20 1 1.578 0 phase fixed for INIT and PHAN stages 15 10 2 1.949 0 phase fixed for INIT and PHAN stages -18 7 16 1.646 0 phase fixed for INIT and PHAN stages -9 11 17 2.399 0 phase fixed for INIT and PHAN stages -6 5 17 1.592 0 phase fixed for INIT and PHAN stages -22 7 5 1.633 0 phase fixed for INIT and PHAN stages -15 11 16 2.421 180 phase fixed for INIT and PHAN stages -13 26 10 1.527 0 phase fixed for INIT and PHAN stages -15 13 12 1.584 180 phase fixed for INIT and PHAN stages 0 32 5 1.588 180 phase fixed for INIT and PHAN stages -11 2 5 2.236 0 phase fixed for INIT and PHAN stages 4 0 4 3.257 0 phase fixed for INIT and PHAN stages -24 17 6 1.509 0 phase fixed for INIT and PHAN stages -27 10 6 1.623 0 phase fixed for INIT and PHAN stages -7 5 10 2.621 180 phase fixed for INIT and PHAN stages 1 20 20 1.739 180 phase fixed for INIT and PHAN stages -13 10 4 1.847 180 phase fixed for INIT and PHAN stages 16 7 16 1.626 0 phase fixed for INIT and PHAN stages -8 7 12 1.668 0 phase fixed for INIT and PHAN stages -24 15 13 1.647 180 phase fixed for INIT and PHAN stages -15 9 12 1.542 180 phase fixed for INIT and PHAN stages 2 5 13 1.587 0 phase fixed for INIT and PHAN stages -7 21 21 1.712 180 phase fixed for INIT and PHAN stages -5 4 1 4.116 random phase All other phases random with initial weights of .200 replaced by 0.2*alpha (or 1 if less) during first 4 cycles - unit weights for all phases thereafter 2 Unique NQR employed in phase annealing 128 Parallel refinements, highest memory = 33291 / 276310 .1 seconds elapsed time STRUCTURE SOLUTION for klat083 in P2(1)/c Phase annealing cycle: 1 Beta = .09668 Ralpha .757 .757 .757 .757 .757 .757 .757 .757 .757 .757 .757 .757 .757 .757 .757 .757 .757 .757 .757 .757 Nqual 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 Mabs 7.712 7.712 7.712 7.712 7.712 7.712 7.712 7.712 7.712 7.712 7.712 7.712 7.712 7.712 7.712 7.712 7.712 7.712 7.712 7.712 Phase annealing cycle: 2 Beta = .10742 Ralpha .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 Nqual 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 Mabs 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 Phase annealing cycle: 3 Beta = .11936 Ralpha .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 Nqual 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 Mabs 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 Phase annealing cycle: 4 Beta = .13262 Ralpha .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 Nqual 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 Mabs 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 Phase annealing cycle: 5 Beta = .14735 Ralpha .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 Nqual 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 Mabs 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 Phase annealing cycle: 6 Beta = .16372 Ralpha .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 Nqual 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 Mabs 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 Phase annealing cycle: 7 Beta = .18192 Ralpha .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 Nqual 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 Mabs 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 Phase annealing cycle: 8 Beta = .20213 Ralpha .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 Nqual 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 Mabs 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 Phase annealing cycle: 9 Beta = .22459 Ralpha .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 Nqual 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 Mabs 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 Phase annealing cycle: 10 Beta = .24954 Ralpha .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 .124 Nqual 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 1.000 Mabs 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 1.542 Phase refinement cycle: 1 Ralpha .268 .268 .268 .268 .268 .268 .268 .268 .268 .268 .268 .268 .268 .268 .268 .268 .268 .268 .268 .268 Nqual .804 .804 .804 .804 .804 .804 .804 .804 .804 .804 .804 .804 .804 .804 .804 .804 .804 .804 .804 .804 Mabs .904 .904 .904 .904 .904 .904 .904 .904 .904 .904 .904 .904 .904 .904 .904 .904 .904 .904 .904 .904 Try Ralpha Nqual Sigma-1 M(abs) CFOM Seminvariants 1420309. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 810089. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1953293. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1377857. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 597829. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 891993. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 265661. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1328305. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 350069. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1750345. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 363117. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1815585. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 689317. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1349433. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 455709. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 181393. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 906965. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 340521. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1702605. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 124417. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 622085. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1013273. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 872061. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 166001. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 830005. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 2052873. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1875757. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 990177. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 756581. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1685753. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 40157. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 200785. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1757525. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 399017. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1995085. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1586817. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1642629. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1921689. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1219837. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1904881. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1135797. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1484681. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1131949. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1465441. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1035749. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 984441. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 727901. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1542353. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 139541. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 697705. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1391373. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 665409. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1229893. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1955161. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1387197. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 644529. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1125493. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1433161. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 874349. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 177441. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 887205. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 241721. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1208605. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1848721. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 235029. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1175145. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1681421. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 18497. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 92485. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 462425. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 214973. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1074865. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1180021. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1705801. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 140397. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 701985. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1412773. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 772409. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1764893. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 435857. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1503317. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1225129. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1931341. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1268097. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 49029. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 245145. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1225725. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1934321. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1282997. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 123529. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 617645. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 991073. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 761061. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1708153. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 152157. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 760785. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1826773. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 745257. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1629133. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1854209. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 882437. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 217881. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1089405. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1252721. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 2069301. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1957897. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1400877. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 712929. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1467493. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1046009. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1035741. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 984401. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1442965. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 923369. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 422541. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 15553. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 77765. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 388825. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1944125. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1332017. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 368629. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1843145. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 827117. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 2038433. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1803557. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 629177. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1048733. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1049361. .298 .820 .322 1.409 1.339* ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1340501. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 411049. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 2055245. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1887617. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1049477. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1053081. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1071101. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1161201. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1611701. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1767049. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 446637. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 136033. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 680165. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1303673. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 226909. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1134545. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1478421. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1100649. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1308941. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 253249. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1266245. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 39769. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 198845. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 994225. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 776821. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1786953. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 546157. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 633633. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1071013. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1160761. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1609501. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1756049. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1288597. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 151529. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 757645. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1691073. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 66757. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 333785. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1668925. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 2053169. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1877237. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 997577. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 793581. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1870753. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 965157. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 631481. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1060253. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1106961. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 76117. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 380585. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1902925. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1126017. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1435781. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 887449. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 242941. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1214705. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1879221. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1007497. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 843181. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 21601. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 108005. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 540025. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 602973. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 917713. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 187989. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 939945. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 505421. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 429953. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 52613. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 263065. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1315325. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 285169. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1425845. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 837769. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 2091693. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 2069857. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1960677. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1414777. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 782429. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1814993. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 34965. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 174825. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 874125. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 176321. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 881605. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 213721. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1068605. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1148721. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1549301. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1455049. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 983789. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 724641. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1526053. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1338809. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 402589. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 2012945. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1431573. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 866409. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 137741. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 688705. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1346373. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 440409. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 104893. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 524465. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 525173. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 528713. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 546413. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 634913. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1077413. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1192761. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1769501. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 458897. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 945365. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 532521. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 565453. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 730113. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1553413. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1475609. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1086589. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1238641. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1998901. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1605897. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1738029. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 301537. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1507685. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1246969. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 2040541. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- 1814097. .298 .820 .322 1.409 1.339 ++-+- --++- +---- +++-- ++--+ -+--- --+-- ++--+ --+++ +-+-- -+-++ ++++- ---+- CFOM Range Frequency .000 - .020 0 .020 - .040 0 .040 - .060 0 .060 - .080 0 .080 - .100 0 .100 - .120 0 .120 - .140 0 .140 - .160 0 .160 - .180 0 .180 - .200 0 .200 - .220 0 .220 - .240 0 .240 - .260 0 .260 - .280 0 .280 - .300 0 .300 - .320 0 .320 - .340 0 .340 - .360 0 .360 - .380 0 .380 - .400 0 .400 - .420 0 .420 - .440 0 .440 - .460 0 .460 - .480 0 .480 - .500 0 .500 - .520 0 .520 - .540 0 .540 - .560 0 .560 - .580 0 .580 - .600 0 .600 - 9.999 256 256. Phase sets refined - best is code 1049361. with CFOM = 1.3393 .8 seconds elapsed time Tangent expanded to 8168 out of 8168 E greater than 1.200 Highest memory used = 32829 / 48106 1.9 seconds elapsed time FMAP and GRID set by program FMAP 8 2 119 GRID -.862 -1 -1 .862 1 1 E-Fourier for klat083 in P2(1)/c Maximum = 370.26, minimum = -74.76 highest memory used = 10617 /340098 .4 seconds elapsed time Heavy-atom assignments: x y z s.o.f. Height CR1 .5043 .5786 .2387 1.0000 370.3 Peak list optimization RE = .524 for 128 surviving atoms and 8168 E-values Highest memory used = 3432 / 73512 1.2 seconds elapsed time E-Fourier for klat083 in P2(1)/c Maximum = 277.18, minimum = -62.92 highest memory used = 10625 /340098 .3 seconds elapsed time Peak list optimization RE = .484 for 153 surviving atoms and 8168 E-values Highest memory used = 3440 / 73512 2.8 seconds elapsed time E-Fourier for klat083 in P2(1)/c Maximum = 274.11, minimum = -42.03 highest memory used = 10625 /340098 .3 seconds elapsed time Molecule 1 scale .453 inches = 1.152 cm per Angstrom 55 202 237 243 22 56 182 31 224 185 76 251 183 126 28 166 85 101 136 89 52 227 92 90 19 218 120 46 234 131 214 88 16 C** 222 220 51 79 111 36 40 219 140 65123 200 164 181 241 216 161 11 **4 158 215 105 58 43 186 32 175 252 196 210 247 91 4225 156 203 94 250 69 63 72 64 233 87 83 12 239 145 Atom Peak x y z SOF Height Distances and Angles CR1 0. .5043 .5786 .2387 1.000 2.58 0 16 1.937 0 19 2.627 55.0 0 36 1.671 38.8 93.7 0 40 2.648 71.0 78.6 73.1 0 46 2.558 25.9 40.0 60.3 89.9 0 65 2.657 55.1 79.6 53.3 19.9 77.9 0 70 1.752 41.8 82.8 38.3 106.6 43.0 87.1 0 79 1.979 135.6 103.8 130.9 66.3 142.0 85.0 168.5 0 88 1.954 117.8 74.2 138.3 65.5 113.8 85.1 156.7 30.2 0 111 2.441 30.0 70.1 35.2 44.3 54.8 25.9 62.5 110.6 105.0 0 120 1.655 69.3 24.5 106.3 102.3 46.1 104.0 81.7 108.2 78.9 91.4 0 123 3.077 34.3 77.1 30.9 44.6 59.9 25.0 62.2 109.8 108.0 7.0 98.2 0 131 1.535 48.8 42.0 78.1 110.6 23.4 100.9 48.5 141.5 111.7 78.1 33.3 0 140 2.767 136.1 109.3 126.2 65.5 146.3 83.2 162.7 6.3 36.2 109.1 114.5 0 158 3.486 138.7 165.4 100.3 109.0 148.4 111.9 105.9 69.6 97.3 124.1 143.5 0 164 2.630 61.5 110.7 34.2 105.5 70.7 86.4 28.5 142.2 169.3 69.0 109.6 0 181 2.637 88.3 98.8 78.5 21.4 110.0 33.2 116.4 53.9 64.8 58.9 121.3 0 214 3.301 119.1 78.6 135.2 62.1 117.6 81.9 159.9 25.3 5.9 103.3 84.5 0 216 2.415 132.8 133.4 105.8 67.9 157.1 79.2 136.5 33.3 63.0 103.0 141.6 0 218 2.166 97.6 66.0 120.6 142.0 71.9 145.0 82.8 108.4 91.1 126.5 41.5 0 219 3.440 62.0 71.0 68.5 9.6 80.3 16.1 99.4 74.6 69.9 36.9 95.2 0 241 3.083 99.8 137.9 70.8 128.9 102.0 115.6 60.5 116.0 142.1 105.8 121.7 1 220 2.543 152.2 119.8 136.0 136.8 130.3 151.8 114.0 71.1 81.6 169.6 97.7 11 41. .5317 .5177 .4223 1.000 2.36 0 65 2.024 0 123 1.965 38.2 0 161 1.741 57.7 95.8 0 200 1.004 78.4 75.4 94.9 0 222 1.981 53.5 43.5 94.6 32.0 12 41. .8334 .1766 .2468 1.000 1.74 0 64 2.027 0 83 1.863 69.1 0 87 1.203 38.1 43.8 0 239 1.746 119.8 168.5 147.7 16 39. .5400 .6130 .3101 1.000 1.98 0 CR1 1.937 0 36 1.223 58.8 0 46 1.175 108.1 140.6 0 70 1.326 61.7 52.1 88.5 0 111 1.232 98.3 72.0 145.9 123.6 0 123 1.837 109.2 71.4 141.1 119.1 14.8 0 131 1.480 51.3 96.4 57.2 57.9 147.2 160.3 19 38. .4589 .6581 .2789 1.000 2.50 0 CR1 2.627 0 46 1.775 67.9 0 90 1.612 134.2 104.6 0 120 1.313 31.5 71.6 165.6 0 131 1.806 34.7 42.5 143.8 29.3 0 227 1.323 126.3 61.3 76.9 111.6 92.7 22 38. .5565 .8240 .1933 1.000 .94 0 182 1.606 0 202 1.992 35.4 0 237 1.160 123.8 114.0 0 243 1.495 80.0 71.4 45.4 0 251 1.268 54.0 79.9 81.8 58.6 25 37. .5320 .2501 .1233 1.000 4.20 0 32 1.932 0 42 .911 63.0 0 91 1.238 77.6 80.9 0 175 1.685 23.2 85.4 86.2 28 37. .5103 .7512 .2496 1.000 1.63 0 56 1.795 0 183 1.057 41.7 0 227 1.942 102.1 61.1 0 243 1.705 64.4 99.3 152.3 0 251 1.678 70.9 111.3 154.3 47.6 31 36. .5080 .7654 .0528 1.000 1.89 0 89 1.430 0 101 1.104 31.1 0 136 1.508 59.3 39.8 0 185 1.448 78.8 91.6 67.9 32 36. .5296 .3222 .1030 1.000 3.88 0 25 1.932 0 42 1.721 28.1 0 175 .767 60.0 87.2 0 186 1.633 108.9 100.2 97.9 0 196 1.350 86.2 58.1 141.6 75.2 0 252 1.955 97.1 74.3 150.4 107.9 40.3 36 35. .5621 .5743 .2958 1.000 2.00 0 CR1 1.671 0 16 1.223 82.5 0 70 1.124 74.8 68.7 0 111 1.443 103.0 54.3 122.4 0 123 1.854 121.5 69.9 132.3 20.8 0 131 2.023 48.0 46.6 39.9 95.9 114.9 0 164 1.561 108.9 119.5 58.9 146.4 129.6 97.6 40 35. .4660 .5352 .3207 1.000 3.00 0 CR1 2.648 0 65 .917 80.6 0 111 1.929 62.1 25.0 0 161 1.698 152.6 83.3 107.0 0 181 .982 78.7 105.8 114.8 84.6 0 219 .939 142.3 76.8 86.1 52.2 136.6 42 35. .5673 .2666 .1284 1.000 3.80 0 25 .911 0 32 1.721 88.9 0 91 1.417 59.7 81.4 0 175 1.850 65.2 24.5 75.3 0 196 1.525 137.4 48.7 108.5 72.3 0 203 1.709 149.9 116.1 105.4 140.5 70.2 43 35. .5591 .4149 .1556 1.000 3.07 0 58 .817 0 105 1.860 110.6 0 158 1.811 55.7 54.9 0 186 1.563 136.8 105.3 151.5 0 215 1.314 81.6 29.3 26.1 133.4 46 34. .5371 .6577 .3018 1.000 1.79 0 CR1 2.558 0 16 1.175 46.0 0 19 1.775 72.1 93.9 0 70 1.749 43.1 49.3 114.9 0 120 1.846 40.2 82.5 42.5 76.7 0 131 1.300 27.9 73.3 70.0 50.6 27.7 0 227 1.626 115.5 134.7 45.5 152.7 77.5 102.3 51 33. .4521 .5535 .4622 1.000 2.81 0 200 1.812 52 33. .6161 .7485 .2138 1.000 .77 0 251 1.714 55 33. .5471 .9012 .2084 1.000 .60 0 202 1.813 56 32. .5384 .8029 .2982 1.000 1.04 0 28 1.795 0 182 1.844 91.7 0 183 1.227 34.9 123.7 0 202 1.876 116.3 36.2 151.0 0 243 1.868 55.4 65.0 85.2 67.3 0 251 2.018 51.8 40.3 85.9 67.5 41.0 58 32. .5612 .4345 .1300 1.000 2.99 0 43 .817 0 158 1.510 97.7 0 215 1.442 64.3 33.6 63 32. .7385 .2506 .0596 1.000 2.49 0 72 1.968 0 94 1.364 79.4 0 233 1.276 108.5 128.9 64 32. .8018 .2491 .2295 1.000 1.67 0 12 2.027 0 69 1.735 136.4 0 87 1.311 34.5 110.2 0 250 1.856 150.0 53.4 121.0 65 32. .5036 .5432 .3410 1.000 2.60 0 CR1 2.657 0 11 2.024 161.3 0 40 .917 79.5 118.1 0 111 1.164 66.6 100.3 135.6 0 123 1.306 95.8 68.5 166.2 33.2 0 161 1.833 140.0 53.4 67.0 153.3 121.7 0 181 1.515 72.7 116.5 38.6 138.1 152.0 67.6 0 219 1.154 124.1 74.3 52.4 128.5 123.7 47.1 82.8 0 222 1.804 117.2 62.0 117.4 61.0 53.2 97.8 154.7 72.5 68 32. .4255 .4464 .1506 1.000 4.08 0 140 1.993 0 216 2.029 36.5 69 31. .7845 .2893 .1704 1.000 1.71 0 64 1.735 0 72 1.762 78.3 0 250 1.618 67.1 95.8 70 31. .5710 .6091 .2719 1.000 1.79 0 CR1 1.752 0 16 1.326 76.6 0 36 1.124 66.9 59.2 0 46 1.749 93.9 42.2 101.4 0 131 1.366 57.4 66.7 108.3 47.4 0 164 1.374 114.0 126.5 76.7 147.6 164.3 72 31. .7582 .2294 .1400 1.000 2.30 0 63 1.968 0 69 1.762 97.8 0 87 1.922 164.2 85.8 76 31. .6586 .8238 .2235 1.000 .00 0 182 1.962 79 30. .4362 .5321 .2103 1.000 3.46 0 CR1 1.979 0 88 1.023 73.6 0 140 .829 158.4 126.8 0 214 1.731 125.5 52.4 74.4 0 216 1.328 91.7 160.4 66.9 138.3 83 30. .7513 .1765 .2226 1.000 2.50 0 12 1.863 0 87 1.297 39.9 85 30. .3807 .6811 .1262 1.000 3.31 0 126 1.077 87 30. .7962 .2007 .2134 1.000 2.00 0 12 1.203 0 64 1.311 107.4 0 72 1.922 155.1 83.8 0 83 1.297 96.3 115.9 98.5 88 30. .4193 .5665 .2192 1.000 3.41 0 CR1 1.954 0 79 1.023 76.3 0 140 1.659 99.6 23.6 0 214 1.372 165.7 91.4 67.8 89 29. .5572 .7339 .0802 1.000 1.57 0 31 1.430 0 101 .748 49.6 0 136 1.455 63.0 36.9 0 185 1.826 51.1 79.7 59.2 90 29. .4383 .6685 .3360 1.000 2.54 0 19 1.612 0 227 1.840 44.5 91 29. .5363 .2486 .0737 1.000 4.25 0 25 1.238 0 42 1.417 39.4 0 175 2.024 56.2 62.1 92 29. .4118 .6548 .0397 1.000 3.31 0 126 1.885 0 166 1.020 48.2 0 224 1.968 46.7 48.3 94 29. .6975 .2778 .0782 1.000 2.68 0 63 1.364 0 156 1.399 114.6 0 247 1.822 155.9 41.3 101 28. .5270 .7266 .0627 1.000 1.90 0 31 1.104 0 89 .748 99.3 0 136 .967 93.2 115.4 0 185 1.845 51.7 76.8 63.2 105 28. .5292 .4488 .2093 1.000 3.07 0 43 1.860 0 158 1.692 61.1 0 215 .961 42.0 20.1 0 216 1.790 142.0 91.4 111.1 111 27. .5354 .5779 .3426 1.000 2.14 0 CR1 2.441 0 16 1.232 51.7 0 36 1.443 41.8 53.7 0 40 1.929 73.6 117.4 104.8 0 65 1.164 87.5 135.7 109.3 19.4 0 123 .719 148.5 139.1 113.8 103.3 84.4 0 222 1.604 142.1 120.2 171.0 83.7 79.6 65.7 120 26. .4791 .6382 .2381 1.000 2.49 0 CR1 1.655 0 19 1.313 124.1 0 46 1.846 93.7 65.9 0 131 .921 66.2 106.6 41.0 0 218 1.436 88.7 147.2 116.1 84.7 123 26. .5524 .5660 .3684 1.000 2.02 0 CR1 3.077 0 11 1.965 131.6 0 16 1.837 36.5 157.4 0 36 1.854 27.6 145.5 38.7 0 65 1.306 59.2 73.3 88.1 83.0 0 111 .719 24.5 132.6 26.0 45.4 62.4 0 200 1.969 130.6 29.6 133.6 157.7 75.4 117.1 0 222 1.463 110.1 68.8 96.0 132.3 81.1 87.7 39.3 126 26. .3866 .7003 .0889 1.000 3.22 0 85 1.077 0 92 1.885 112.2 0 166 1.425 129.9 32.2 0 224 1.528 162.9 69.5 60.9 131 25. .5194 .6355 .2523 1.000 2.13 0 CR1 1.535 0 16 1.480 79.9 0 19 1.806 103.3 83.2 0 36 2.023 53.9 36.9 113.4 0 46 1.300 128.7 49.5 67.4 82.5 0 70 1.366 74.1 55.4 138.5 31.8 82.0 0 120 .921 80.5 115.8 44.2 125.1 111.3 154.2 0 218 1.633 86.2 166.1 100.0 131.9 144.1 120.7 61.1 136 25. .4994 .7172 .0843 1.000 2.16 0 31 1.508 0 89 1.455 57.7 0 101 .967 46.9 27.7 0 185 1.652 54.3 71.7 85.4 0 224 2.012 83.7 140.2 117.4 94.6 140 24. .4180 .5047 .2015 1.000 3.77 0 CR1 2.767 0 68 1.993 123.5 0 79 .829 15.2 133.3 0 88 1.659 44.1 153.6 29.6 0 214 1.706 92.0 137.3 77.7 48.1 0 216 1.259 60.7 73.3 75.9 104.4 149.3 145 24. .9589 .1601 .3249 1.000 .60 0 239 1.416 156 24. .6390 .2669 .0495 1.000 3.29 0 94 1.399 0 203 1.927 75.6 0 247 1.203 88.6 48.1 0 252 1.890 101.0 65.3 18.5 158 24. .5394 .4824 .1531 1.000 2.90 0 CR1 3.486 0 43 1.811 140.6 0 58 1.510 165.9 26.5 0 105 1.692 77.4 64.0 90.5 0 215 .856 98.2 42.5 68.9 22.8 161 23. .4708 .4913 .3736 1.000 3.10 0 11 1.741 0 40 1.698 97.5 0 65 1.833 68.9 29.8 0 181 1.880 113.1 31.3 48.1 0 219 1.346 81.7 33.5 38.9 64.7 164 23. .6199 .5789 .2761 1.000 1.51 0 CR1 2.630 0 36 1.561 36.9 0 70 1.374 37.5 44.5 0 194 1.676 109.9 129.4 141.1 0 241 1.952 83.2 115.9 106.8 35.1 166 23. .3788 .6814 .0324 1.000 3.48 0 92 1.020 0 126 1.425 99.6 0 224 1.498 101.1 63.0 175 23. .5018 .3088 .1068 1.000 4.19 0 25 1.685 0 32 .767 96.8 0 42 1.850 29.4 68.3 0 91 2.024 37.6 81.8 42.6 0 186 1.898 108.3 58.5 86.8 126.1 0 196 2.009 75.7 24.6 46.3 72.6 55.9 181 22. .4697 .5051 .2974 1.000 3.16 0 CR1 2.637 0 40 .982 79.9 0 65 1.515 74.1 35.6 0 161 1.880 138.2 64.1 64.3 0 216 2.034 60.6 137.2 131.2 158.7 0 219 1.785 100.4 21.2 39.9 43.0 158.2 182 22. .5929 .8204 .2590 1.000 .54 0 22 1.606 0 56 1.844 105.6 0 76 1.962 80.3 167.0 0 202 1.155 90.8 73.4 118.6 0 243 1.995 47.6 58.1 127.0 77.4 0 251 1.339 50.0 76.9 99.3 120.3 43.0 183 22. .5113 .7620 .2917 1.000 1.50 0 28 1.057 0 56 1.227 103.4 0 227 1.704 86.0 165.1 185 22. .5121 .7754 .1123 1.000 1.70 0 31 1.448 0 89 1.826 50.2 0 101 1.845 36.7 23.5 0 136 1.652 57.8 49.1 31.5 0 237 1.806 159.8 145.2 163.3 139.4 186 22. .5444 .3567 .1611 1.000 3.48 0 32 1.633 0 43 1.563 117.2 0 175 1.898 23.6 131.4 0 196 1.833 45.4 105.9 65.1 194 22. .6489 .5376 .2380 1.000 1.52 0 164 1.676 0 241 1.127 85.9 196 22. .5889 .3211 .1223 1.000 3.34 0 32 1.350 0 42 1.525 73.3 0 175 2.009 13.7 61.4 0 186 1.833 59.5 99.7 59.0 0 203 1.865 129.0 59.5 119.7 142.3 0 247 1.602 115.9 87.1 119.1 169.5 48.2 0 252 1.271 96.4 105.2 105.5 138.2 79.6 31.4 200 22. .5114 .5507 .4274 1.000 2.36 0 11 1.004 0 51 1.812 122.9 0 123 1.969 75.0 156.5 0 219 1.803 88.5 93.6 70.1 0 222 1.249 122.8 111.5 47.9 70.8 202 22. .5721 .8585 .2689 1.000 .51 0 22 1.992 0 55 1.813 65.4 0 56 1.876 90.6 134.4 0 182 1.155 53.7 114.8 70.4 203 22. .6401 .2652 .1289 1.000 3.17 0 42 1.709 0 156 1.927 104.1 0 196 1.865 50.3 93.4 0 247 1.436 86.1 38.5 56.3 210 21. .7095 .3632 .1960 1.000 1.95 0 250 1.914 214 21. .3640 .5457 .2095 1.000 4.02 0 CR1 3.301 0 79 1.731 29.2 0 88 1.372 8.4 36.2 0 140 1.706 56.9 27.9 64.1 0 234 1.755 102.5 127.7 98.9 143.7 215 21. .5433 .4574 .1768 1.000 2.95 0 43 1.314 0 58 1.442 34.1 0 105 .961 108.7 142.0 0 158 .856 111.4 77.6 137.1 216 21. .4713 .4912 .2156 1.000 3.35 0 CR1 2.415 0 68 2.029 142.4 0 79 1.328 55.0 101.2 0 105 1.790 113.2 80.7 161.9 0 140 1.259 92.2 70.2 37.3 150.9 0 181 2.034 72.1 136.2 77.4 113.8 86.7 218 21. .4922 .6459 .1842 1.000 2.43 0 CR1 2.166 0 120 1.436 49.8 0 131 1.633 45.0 34.2 219 21. .4621 .5410 .3577 1.000 2.95 0 CR1 3.440 0 40 .939 28.1 0 65 1.154 39.8 50.7 0 161 1.346 117.2 94.3 94.0 0 181 1.785 49.0 22.2 57.3 72.3 0 200 1.803 119.7 136.2 85.9 81.4 131.8 0 222 1.825 87.9 114.2 70.5 118.9 127.6 40.3 222 21. .5121 .5898 .3977 1.000 2.20 0 11 1.981 0 65 1.804 64.5 0 111 1.604 88.2 39.4 0 123 1.463 67.7 45.7 26.6 0 200 1.249 25.2 83.3 112.8 92.8 0 219 1.825 64.7 37.1 74.7 81.8 68.9 224 21. .4134 .7302 .0477 1.000 2.90 0 92 1.968 0 126 1.528 63.8 0 136 2.012 82.3 99.4 0 166 1.498 30.6 56.2 112.6 227 21. .4867 .7013 .2988 1.000 2.01 0 19 1.323 0 28 1.942 122.3 0 46 1.626 73.2 99.7 0 90 1.840 58.6 157.9 101.2 0 183 1.704 153.5 32.9 112.7 138.4 233 20. .7314 .2102 .0286 1.000 2.81 0 63 1.276 234 20. .3386 .5813 .2596 1.000 3.98 0 214 1.755 237 20. .5084 .8096 .1759 1.000 1.46 0 22 1.160 0 185 1.806 102.0 0 243 1.070 84.1 152.3 0 251 1.593 52.0 104.7 57.8 239 20. .9083 .1669 .2788 1.000 1.08 0 12 1.746 0 145 1.416 155.6 241 20. .6157 .5536 .1996 1.000 1.79 0 CR1 3.083 0 164 1.952 57.9 0 194 1.127 106.3 58.9 243 20. .5077 .8108 .2197 1.000 1.39 0 22 1.495 0 28 1.705 116.4 0 56 1.868 109.3 60.1 0 182 1.995 52.4 89.4 56.9 0 237 1.070 50.5 112.9 155.7 101.8 0 251 1.367 52.4 65.2 75.4 42.0 80.7 247 20. .6236 .2977 .0795 1.000 3.22 0 94 1.822 0 156 1.203 50.1 0 196 1.602 140.4 159.1 0 203 1.436 78.4 93.4 75.5 0 252 .841 144.9 134.5 52.0 127.4 250 20. .7386 .2943 .2093 1.000 2.03 0 64 1.856 0 69 1.618 59.4 0 210 1.914 149.5 103.9 251 20. .5595 .7850 .2253 1.000 1.06 0 22 1.268 0 28 1.678 134.5 0 52 1.714 105.1 113.9 0 56 2.018 111.7 57.2 130.8 0 182 1.339 76.0 119.3 97.2 62.8 0 237 1.593 46.1 91.3 124.1 105.0 113.0 0 243 1.367 69.0 67.2 164.6 63.6 95.0 41.5 252 20. .5994 .3223 .0737 1.000 3.32 0 32 1.955 0 156 1.890 130.0 0 196 1.271 43.3 120.3 0 247 .841 122.2 27.0 96.6 Atom Code x y z Height Symmetry transformation 220 1 .4868 .5676 .1317 2.96 1.0000-X .5000+Y .5000-Z Molecule 2 scale .690 inches = 1.753 cm per Angstrom 226 102 17 109 44 21 229 190 8 255 104 249 114 151 157 154 152 180 48 130 3 230 84 93 9 24 205 33 1 80 113 34 2 254 143 103 66 4 37 29 18 115 162 20 192 221 248 Atom Peak x y z SOF Height Distances and Angles 1 101. -.0012 .4416 .2258 1.000 2.61 0 2 1.127 0 3 1.846 110.4 0 4 1.803 27.4 111.7 0 9 1.840 105.8 129.1 116.9 0 24 1.142 40.4 79.8 63.6 108.7 0 66 1.589 34.0 136.8 25.2 92.0 74.0 0 103 1.360 61.7 69.9 45.5 161.0 71.9 69.6 0 113 1.609 42.9 69.2 45.7 144.9 39.0 68.9 33.0 0 230 1.173 98.8 92.2 125.3 47.3 74.1 112.3 143.8 111.8 0 254 1.677 138.5 105.4 117.9 64.0 172.6 104.4 114.6 147.6 100.1 2 52. -.0160 .4415 .2663 1.000 1.92 0 1 1.127 0 4 .955 119.8 0 24 .783 70.9 143.4 0 33 1.343 132.1 105.7 63.6 0 66 .909 102.1 48.7 167.8 119.7 0 103 1.291 68.1 68.2 87.5 121.6 99.3 0 113 1.097 92.7 81.0 63.0 79.7 128.4 42.1 0 230 1.747 41.6 158.6 51.2 95.4 116.9 104.0 106.8 3 49. -.0598 .4157 .1661 1.000 2.49 0 1 1.846 0 24 1.991 34.4 0 103 1.880 42.8 44.8 0 113 1.970 49.7 29.8 26.2 0 114 1.626 97.8 84.9 129.8 108.8 4 47. -.0043 .4142 .2931 1.000 1.78 0 1 1.803 0 2 .955 32.8 0 18 1.665 87.8 104.7 0 24 1.651 38.3 16.4 119.9 0 33 1.846 76.5 44.5 130.9 40.2 0 66 .770 61.7 62.6 45.7 79.0 86.8 0 103 1.289 48.8 68.4 111.3 58.9 92.6 108.2 0 113 1.337 59.4 54.1 145.3 38.0 56.6 115.6 39.0 0 115 1.715 99.0 130.9 71.4 126.6 156.3 111.9 68.3 100.8 8 43. -.0576 .5174 .1119 1.000 3.13 0 114 1.672 0 151 1.893 110.8 0 190 1.895 56.5 124.9 9 42. .0433 .5003 .2287 1.000 3.18 0 1 1.840 0 84 1.810 68.4 0 151 1.848 108.2 65.8 0 230 1.353 39.5 78.2 78.8 0 254 1.868 53.8 36.2 102.1 85.0 17 39. -.4009 .4438 -.0303 1.000 .00 0 102 1.682 18 39. .0690 .4174 .3132 1.000 2.57 0 4 1.665 0 66 1.255 26.1 0 115 1.972 55.5 79.0 20 38. .0064 .3030 .2879 1.000 2.03 0 37 1.697 0 115 1.397 111.7 0 248 1.220 103.7 144.4 21 38. -.1726 .5019 .0608 1.000 2.12 0 190 1.860 0 229 2.023 126.3 24 38. -.0419 .4514 .2411 1.000 1.85 0 1 1.142 0 2 .783 68.8 0 3 1.991 65.9 119.8 0 4 1.651 78.1 20.2 111.7 0 33 1.217 146.6 81.3 146.3 78.6 0 66 1.683 65.2 6.6 120.7 26.7 83.4 0 103 1.480 60.9 60.6 63.6 48.2 116.7 64.4 0 113 1.018 96.1 73.8 74.0 54.0 89.1 79.9 35.3 0 230 1.396 54.0 102.9 80.0 121.3 123.4 96.6 113.8 146.9 29 36. -.0180 .1860 .1322 1.000 3.57 0 80 2.028 0 192 1.680 106.5 33 35. -.0606 .4654 .2808 1.000 1.11 0 2 1.343 0 4 1.846 29.9 0 24 1.217 35.2 61.2 0 66 1.960 23.8 23.1 58.5 0 93 1.625 128.2 111.1 114.8 134.1 0 113 1.574 43.3 45.2 40.3 60.4 85.9 34 35. -.0501 .1712 .0399 1.000 4.21 0 205 1.151 37 35. -.0306 .2811 .2226 1.000 2.28 0 20 1.697 0 143 1.701 149.5 0 162 1.163 94.1 114.6 44 34. -.2918 .4598 .0198 1.000 .94 0 109 1.596 0 229 1.662 125.2 48 33. -.0707 .2755 .0203 1.000 4.12 0 80 1.629 0 104 2.000 121.9 0 152 1.049 91.1 98.0 0 205 1.689 44.2 95.1 132.2 66 32. .0183 .4356 .2932 1.000 2.09 0 1 1.589 0 2 .909 43.9 0 4 .770 93.1 68.7 0 18 1.255 115.1 156.3 108.2 0 24 1.683 40.7 5.7 74.4 155.2 0 33 1.960 78.3 36.5 70.1 166.6 38.1 0 103 1.694 48.8 48.7 46.3 111.3 52.0 77.6 0 113 1.808 56.1 28.4 41.8 138.0 33.7 49.2 28.8 80 30. -.0379 .2486 .0809 1.000 3.87 0 29 2.028 0 48 1.629 151.4 0 152 1.954 158.6 32.5 0 205 1.249 82.9 70.5 101.3 84 30. .0440 .4610 .1673 1.000 3.93 0 9 1.810 0 130 1.246 139.2 0 151 1.988 58.0 95.1 0 230 2.026 40.8 101.1 62.0 0 254 1.145 74.6 124.2 132.6 83.4 93 29. -.1248 .4422 .2807 1.000 .21 0 33 1.625 102 28. -.3822 .5063 -.0304 1.000 .24 0 17 1.682 0 109 1.778 74.7 103 28. -.0228 .3970 .2418 1.000 2.13 0 1 1.360 0 2 1.291 50.2 0 3 1.880 67.3 101.0 0 4 1.289 85.7 43.5 144.2 0 24 1.480 47.2 31.9 71.6 72.8 0 66 1.694 61.6 32.0 126.8 25.6 63.6 0 113 .877 89.2 57.0 82.7 73.5 42.2 82.8 0 115 1.722 120.1 107.9 146.2 67.7 139.6 77.0 127.9 104 28. -.1509 .2535 -.0249 1.000 3.53 0 48 2.000 0 249 1.350 98.7 109 27. -.3227 .4720 -.0456 1.000 1.27 0 44 1.596 0 102 1.778 94.0 0 226 1.387 147.2 87.0 113 27. -.0521 .4145 .2488 1.000 1.63 0 1 1.609 0 2 1.097 44.4 0 3 1.970 61.1 103.9 0 4 1.337 74.8 44.9 130.9 0 24 1.018 44.9 43.3 76.3 87.9 0 33 1.574 90.4 57.1 120.1 78.2 50.6 0 66 1.808 55.1 23.2 115.5 22.6 66.4 70.4 0 103 .877 57.7 80.8 71.1 67.5 102.5 137.7 68.4 114 27. -.0890 .4702 .1405 1.000 2.37 0 3 1.626 0 8 1.672 127.6 0 190 1.701 161.0 68.4 0 255 1.901 76.1 128.6 102.5 115 27. .0238 .3543 .2859 1.000 2.28 0 4 1.715 0 18 1.972 53.1 0 20 1.397 137.3 156.5 0 103 1.722 44.0 82.7 119.4 130 25. .0094 .4466 .1218 1.000 3.99 0 84 1.246 143 24. -.0956 .2704 .1730 1.000 1.96 0 37 1.701 151 24. .0176 .5341 .1597 1.000 3.62 0 8 1.893 0 9 1.848 118.6 0 84 1.988 93.3 56.2 0 180 1.050 146.9 88.3 86.0 152 24. -.0835 .3069 .0414 1.000 3.68 0 48 1.049 0 80 1.954 56.4 0 154 1.312 149.7 104.2 154 24. -.1107 .3249 .0780 1.000 2.85 0 152 1.312 0 157 1.180 126.2 157 24. -.1585 .3136 .0807 1.000 2.15 0 154 1.180 0 249 2.005 99.0 162 23. .0085 .2560 .2170 1.000 2.91 0 37 1.163 0 192 1.328 133.1 0 221 1.697 100.2 42.4 180 22. .0617 .5432 .1623 1.000 4.21 0 151 1.050 190 22. -.1298 .5252 .1319 1.000 1.88 0 8 1.895 0 21 1.860 91.6 0 114 1.701 55.1 89.5 192 22. .0119 .2083 .1983 1.000 3.20 0 29 1.680 0 162 1.328 127.0 0 221 1.147 110.3 86.3 205 22. -.0477 .2154 .0423 1.000 4.20 0 34 1.151 0 48 1.689 153.7 0 80 1.249 136.3 65.3 221 21. -.0162 .1965 .2281 1.000 2.45 0 162 1.697 0 192 1.147 51.3 226 21. -.3278 .5053 -.0911 1.000 1.73 0 109 1.387 229 21. -.2234 .4380 .0449 1.000 1.62 0 21 2.023 0 44 1.662 104.9 230 21. -.0134 .4843 .2116 1.000 2.59 0 1 1.173 0 2 1.747 39.6 0 9 1.353 93.2 101.0 0 24 1.396 51.9 25.9 126.7 0 84 2.026 74.5 112.2 61.0 124.7 248 20. .0102 .2652 .3184 1.000 1.73 0 20 1.220 249 20. -.1819 .2679 .0120 1.000 2.65 0 104 1.350 0 157 2.005 129.9 254 20. .0614 .4349 .2060 1.000 3.73 0 1 1.677 0 9 1.868 62.3 0 84 1.145 91.3 69.2 255 20. -.1450 .4204 .1028 1.000 2.04 0 114 1.901 Molecule 3 scale .781 inches = 1.984 cm per Angstrom 163 75 236 211 172 208 191 253 149 5 204 73 144 167 116 124 61 57 139 146 15 82 106 77 232 Atom Peak x y z SOF Height Distances and Angles 5 46. .1828 .1071 .4480 1.000 1.55 0 73 1.205 0 75 1.988 149.7 0 149 1.420 122.0 33.8 0 204 1.824 57.8 107.4 111.8 0 208 1.661 131.8 63.8 63.6 170.3 0 236 1.687 108.8 62.9 86.2 50.9 119.4 0 253 1.108 82.1 120.1 153.9 70.7 109.5 75.6 15 39. .1886 -.1481 .6499 1.000 2.11 0 106 1.320 57 32. .0976 -.0663 .5507 1.000 1.64 0 61 1.243 0 82 1.958 155.3 0 124 1.764 43.6 158.5 0 139 1.009 59.6 122.1 73.2 61 32. .1364 -.0497 .5921 1.000 2.37 0 57 1.243 0 124 1.217 91.6 0 139 1.138 49.9 96.7 0 146 1.314 114.7 139.8 80.4 73 31. .1582 .0883 .4807 1.000 1.95 0 5 1.205 0 204 1.562 81.4 0 253 1.521 46.2 71.2 75 31. .2391 .1006 .4000 1.000 .54 0 5 1.988 0 149 1.130 44.4 0 163 1.655 153.8 133.0 0 208 1.948 49.9 57.0 156.3 0 236 1.935 50.9 83.7 105.8 96.3 77 30. -.0052 -.1269 .5055 1.000 .57 0 82 1.033 0 232 1.896 174.1 82 30. .0198 -.0936 .5120 1.000 .95 0 57 1.958 0 77 1.033 142.9 106 28. .1306 -.1513 .6376 1.000 2.05 0 15 1.320 0 146 1.926 75.5 116 27. .1366 .0374 .5800 1.000 3.09 0 124 1.962 0 167 1.993 77.2 124 26. .1631 -.0302 .5608 1.000 1.99 0 57 1.764 0 61 1.217 44.8 0 116 1.962 100.8 88.5 0 139 1.761 33.3 39.9 124.7 139 24. .1310 -.0894 .5714 1.000 1.63 0 57 1.009 0 61 1.138 70.5 0 124 1.761 73.5 43.4 0 146 1.588 110.0 54.7 90.3 144 24. .1721 .1097 .5723 1.000 3.62 0 167 1.833 0 204 2.012 49.4 146 24. .1463 -.0785 .6380 1.000 2.78 0 61 1.314 0 106 1.926 124.4 0 139 1.588 45.0 80.2 149 24. .2011 .0771 .4069 1.000 .52 0 5 1.420 0 75 1.130 101.8 0 208 1.635 65.4 87.5 163 23. .3031 .0849 .3884 1.000 .00 0 75 1.655 167 23. .2173 .0522 .5723 1.000 2.88 0 116 1.993 0 144 1.833 65.8 0 204 1.614 117.1 71.1 172 23. .1407 .2071 .4706 1.000 3.09 0 191 1.784 0 253 1.996 104.4 191 22. .0886 .2043 .4025 1.000 2.11 0 172 1.784 204 22. .2223 .0893 .5205 1.000 2.42 0 5 1.824 0 73 1.562 40.8 0 144 2.012 107.8 76.3 0 167 1.614 141.6 102.6 59.5 0 211 1.473 113.1 144.4 98.9 105.0 0 236 1.515 59.9 100.6 140.4 153.2 60.6 0 253 1.795 35.7 53.3 84.6 142.1 91.3 64.2 208 21. .1581 .1256 .3805 1.000 .73 0 5 1.661 0 75 1.948 66.3 0 149 1.635 51.0 35.4 211 21. .2737 .1223 .5445 1.000 3.01 0 204 1.473 0 236 1.509 61.1 232 20. -.0507 -.1877 .5018 1.000 .00 0 77 1.896 236 20. .2552 .1132 .4810 1.000 1.94 0 5 1.687 0 75 1.935 66.1 0 204 1.515 69.2 125.5 0 211 1.509 119.1 174.7 58.3 0 253 1.774 37.3 94.2 65.6 90.9 253 20. .1851 .1409 .4763 1.000 2.36 0 5 1.108 0 73 1.521 51.7 0 172 1.996 134.3 123.9 0 204 1.795 73.6 55.5 148.0 0 236 1.774 67.1 91.6 144.5 50.2 Molecule 4 scale 1.000 inches = 2.540 cm per Angstrom 6 14 178 97 118 188 209 67 Atom Peak x y z SOF Height Distances and Angles 6 45. .3238 .8333 .1982 1.000 .65 0 14 .697 0 118 1.791 62.5 0 178 1.887 59.3 29.8 14 39. .3209 .8118 .2145 1.000 1.17 0 6 .697 0 118 1.594 94.6 0 178 1.645 99.3 34.1 67 32. .2584 .7288 .1637 1.000 .65 0 118 2.025 0 178 1.345 23.2 0 209 1.147 126.6 103.7 97 29. .1576 .7450 .1789 1.000 .42 0 209 1.624 118 27. .3321 .7710 .1695 1.000 .66 0 6 1.791 0 14 1.594 22.8 0 67 2.025 109.6 96.5 0 178 .951 80.7 75.9 33.9 0 188 1.789 96.2 110.7 152.8 153.3 178 23. .2905 .7716 .1630 1.000 .36 0 6 1.887 0 14 1.645 21.4 0 67 1.345 149.5 130.3 0 118 .951 69.5 70.0 122.9 0 209 1.963 132.2 126.1 34.6 156.7 188 22. .3993 .7851 .1511 1.000 .42 0 118 1.789 209 21. .2106 .7428 .1476 1.000 .00 0 67 1.147 0 97 1.624 130.8 0 178 1.963 41.7 135.3 Molecule 5 scale 1.000 inches = 2.540 cm per Angstrom 47 168 108 27 193 207 13 23 41 112 169 212 150 184 110 238 137 107 7 198 35 235 179 217 10 96 165 Atom Peak x y z SOF Height Distances and Angles 7 45. .3313 .6049 .4796 1.000 1.27 0 107 1.227 0 184 1.478 128.9 10 42. .2305 .5183 .6171 1.000 3.02 0 217 1.888 13 39. .1662 .6949 .4536 1.000 .00 0 41 1.756 0 193 1.660 29.9 23 38. .1585 .5610 .4059 1.000 3.56 0 27 1.091 0 41 2.010 98.2 0 112 1.668 82.1 121.0 0 207 1.264 64.3 35.6 122.2 27 37. .1130 .5596 .3799 1.000 3.95 0 23 1.091 0 108 1.624 124.4 0 112 1.863 62.5 88.8 0 207 1.262 64.5 161.5 109.3 35 35. .3583 .5126 .4425 1.000 3.60 0 238 1.668 41 35. .1543 .6282 .4456 1.000 1.72 0 13 1.756 0 23 2.010 151.9 0 150 2.007 88.5 86.5 0 193 .887 69.0 111.2 157.1 0 207 1.226 131.8 36.8 121.4 74.4 0 212 1.731 111.6 87.1 53.2 138.5 116.6 47 34. .0497 .5948 .2396 1.000 4.22 0 168 1.360 96 29. .2667 .4524 .5679 1.000 4.74 0 165 1.781 0 179 .991 81.8 0 198 1.919 138.1 56.5 0 217 .937 153.4 74.5 19.5 107 28. .3010 .6268 .5065 1.000 .72 0 7 1.227 0 150 1.418 113.8 108 27. .0876 .5171 .3306 1.000 5.39 0 27 1.624 0 168 1.763 78.0 110 27. .1683 .5470 .5392 1.000 3.07 0 137 1.418 0 198 1.683 106.6 0 212 1.546 34.6 129.8 112 27. .1391 .5059 .4312 1.000 4.83 0 23 1.668 0 27 1.863 35.5 0 169 .879 117.9 121.8 137 25. .2138 .5796 .5311 1.000 2.11 0 110 1.418 0 150 1.716 147.3 0 212 .890 80.6 73.3 150 24. .2397 .6175 .4852 1.000 1.35 0 41 2.007 0 107 1.418 160.9 0 137 1.716 84.8 111.1 0 212 1.690 55.0 138.8 30.3 165 23. .3415 .4600 .5664 1.000 4.22 0 96 1.781 0 179 1.911 30.9 0 235 1.667 87.7 57.3 168 23. .0681 .5754 .2933 1.000 4.29 0 47 1.360 0 108 1.763 141.9 169 23. .1529 .4770 .4208 1.000 5.53 0 112 .879 179 23. .2611 .4813 .5404 1.000 4.22 0 96 .991 0 165 1.911 67.3 0 198 1.601 92.5 159.4 0 217 1.169 50.6 116.9 42.5 0 235 1.728 120.5 54.2 146.4 171.1 184 22. .3180 .5950 .4176 1.000 1.93 0 7 1.478 0 238 2.029 117.9 193 22. .1220 .6456 .4285 1.000 1.54 0 13 1.660 0 41 .887 81.1 0 207 1.306 133.7 64.7 198 22. .1924 .4861 .5373 1.000 4.44 0 96 1.919 0 110 1.683 134.1 0 179 1.601 31.1 114.4 0 217 1.082 16.8 133.4 46.9 207 22. .1292 .6020 .4044 1.000 2.71 0 23 1.264 0 27 1.262 51.2 0 41 1.226 107.6 152.9 0 193 1.306 148.4 155.5 40.9 212 21. .1828 .5958 .5090 1.000 2.00 0 41 1.731 0 110 1.546 137.7 0 137 .890 146.3 64.8 0 150 1.690 71.8 136.8 76.5 217 21. .2283 .4644 .5644 1.000 4.64 0 10 1.888 0 96 .937 109.3 0 179 1.169 99.0 54.8 0 198 1.082 84.6 143.7 90.6 235 20. .3176 .5001 .5117 1.000 3.68 0 165 1.667 0 179 1.728 68.5 238 20. .3722 .5468 .3895 1.000 3.02 0 35 1.668 0 184 2.029 78.4 Molecule 6 scale 1.000 inches = 2.540 cm per Angstrom 135 26 187 129 141 Atom Peak x y z SOF Height Distances and Angles 26 37. .0807 .1006 .1891 1.000 .53 0 129 1.064 0 187 .861 81.8 129 25. .0431 .1098 .1553 1.000 .31 0 26 1.064 0 187 1.270 42.2 135 25. .1265 .1228 .2743 1.000 .31 0 141 1.658 0 187 1.887 118.8 141 24. .1396 .1771 .3114 1.000 .31 0 135 1.658 187 22. .0635 .1209 .2077 1.000 .00 0 26 .861 0 129 1.270 56.1 0 135 1.887 95.4 150.6 Molecule 7 Atom Peak x y z SOF Height Distances and Angles 30 36. .2422 .2790 .0604 1.000 .00 0 95 1.679 95 29. .2986 .2602 .0349 1.000 .00 0 30 1.679 0 206 1.269 115.9 206 22. .3063 .2858 -.0070 1.000 .00 0 95 1.269 Molecule 8 Atom Peak x y z SOF Height Distances and Angles 38 35. .3875 .2406 .1241 1.000 .00 0 99 1.914 99 29. .4165 .2423 .0577 1.000 .00 0 38 1.914 Molecule 9 Atom Peak x y z SOF Height Distances and Angles 39 35. .1123 .3931 .3999 1.000 Molecule 10 scale 1.000 inches = 2.540 cm per Angstrom 45 231 81 225 223 Atom Peak x y z SOF Height Distances and Angles 45 34. .0974 .1812 .0043 1.000 .49 0 81 1.215 0 225 1.968 4.7 81 30. .1294 .1730 .0515 1.000 .09 0 45 1.215 0 223 1.513 111.9 0 225 .764 167.9 62.3 223 21. .1925 .1641 .0500 1.000 .49 0 81 1.513 0 225 1.340 30.3 225 21. .1508 .1624 .0784 1.000 .00 0 45 1.968 0 81 .764 7.4 0 223 1.340 84.2 87.4 0 231 1.392 138.8 144.5 102.1 231 20. .1669 .1189 .1123 1.000 .49 0 225 1.392 Molecule 11 Atom Peak x y z SOF Height Distances and Angles 49 33. .4654 .6710 .4597 1.000 .00 0 147 1.982 147 24. .4527 .6698 .5371 1.000 .00 0 49 1.982 Molecule 12 Atom Peak x y z SOF Height Distances and Angles 50 33. .2344 .3194 .2264 1.000 .00 0 244 1.942 0 245 1.335 35.1 244 20. .1633 .2779 .2119 1.000 .00 0 50 1.942 0 245 1.144 42.1 245 20. .2016 .2845 .1919 1.000 .00 0 50 1.335 0 244 1.144 102.9 Molecule 13 Atom Peak x y z SOF Height Distances and Angles 53 33. .5033 .0669 .4661 1.000 .00 0 171 1.104 171 23. .4949 .0879 .4252 1.000 .00 0 53 1.104 0 220 1.640 125.3 220 21. .5132 .0676 .3683 1.000 .00 0 171 1.640 Molecule 14 scale 1.000 inches = 2.540 cm per Angstrom 54 170 177 133 153 Atom Peak x y z SOF Height Distances and Angles 54 33. .0086 .4028 .4612 1.000 .52 0 133 1.012 0 153 1.841 38.5 0 170 1.525 97.7 65.5 133 25. .0410 .4296 .4702 1.000 .00 0 54 1.012 0 153 1.224 110.5 0 170 1.940 51.2 66.8 0 177 2.035 88.7 96.6 118.7 153 24. .0893 .4088 .4858 1.000 .52 0 54 1.841 0 133 1.224 31.0 0 170 1.840 48.9 75.6 170 23. .0425 .3609 .4393 1.000 1.00 0 54 1.525 0 133 1.940 31.1 0 153 1.840 65.6 37.7 177 23. .0274 .4374 .5491 1.000 1.00 0 133 2.035 Molecule 15 Atom Peak x y z SOF Height Distances and Angles 59 32. .2174 .9740 .3705 1.000 .00 0 62 1.494 0 195 1.062 98.3 62 32. .2284 .9838 .3137 1.000 .00 0 59 1.494 0 127 1.611 150.4 0 195 1.954 32.5 151.5 127 25. .2289 .9643 .2509 1.000 .00 0 62 1.611 195 22. .2600 .9833 .3964 1.000 .00 0 59 1.062 0 62 1.954 49.2 Molecule 16 scale .892 inches = 2.267 cm per Angstrom 142 160 199 197 100 71 121 132 242 240 60 228 159 201 Atom Peak x y z SOF Height Distances and Angles 60 32. .3665 .3573 .3932 1.000 2.01 0 71 1.401 0 159 1.100 125.9 0 201 1.174 114.7 118.8 0 242 1.917 68.0 148.4 52.3 71 31. .3225 .3797 .4146 1.000 2.61 0 60 1.401 0 160 1.811 109.3 0 242 1.904 69.0 126.1 100 29. .2728 .3388 .3315 1.000 1.03 0 160 1.646 0 197 1.941 61.9 121 26. .3005 .1959 .3929 1.000 2.37 0 132 2.027 0 199 1.822 144.5 132 25. .3116 .1493 .3296 1.000 1.00 0 121 2.027 0 228 1.378 119.1 142 24. .1900 .3206 .3435 1.000 1.60 0 160 1.778 159 24. .3692 .3164 .3822 1.000 1.79 0 60 1.100 0 201 1.958 31.7 160 24. .2559 .3414 .3930 1.000 2.41 0 71 1.811 0 100 1.646 83.7 0 142 1.778 153.7 75.4 0 197 1.863 117.0 66.9 69.2 197 22. .2639 .2744 .3688 1.000 1.92 0 100 1.941 0 160 1.863 51.2 0 199 1.284 153.3 102.2 199 22. .2558 .2475 .4104 1.000 2.87 0 121 1.822 0 197 1.284 90.1 201 22. .3988 .3867 .3807 1.000 1.60 0 60 1.174 0 159 1.958 29.5 0 240 1.964 107.5 126.4 0 242 1.516 90.0 113.3 19.5 228 21. .3350 .1695 .2880 1.000 .00 0 132 1.378 240 20. .3525 .4474 .3475 1.000 1.00 0 201 1.964 0 242 .737 43.4 242 20. .3505 .4270 .3680 1.000 1.47 0 60 1.917 0 71 1.904 43.0 0 201 1.516 37.8 78.0 0 240 .737 148.5 163.8 117.1 Molecule 17 Atom Peak x y z SOF Height Distances and Angles 74 31. .2806 .1122 .2372 1.000 Molecule 18 Atom Peak x y z SOF Height Distances and Angles 78 30. .2637 .2011 .1817 1.000 Molecule 19 Atom Peak x y z SOF Height Distances and Angles 86 30. .2298 .4489 .3528 1.000 Molecule 20 Atom Peak x y z SOF Height Distances and Angles 98 29. .4138 .1300 .3596 1.000 Molecule 21 Atom Peak x y z SOF Height Distances and Angles 117 27. .2339 .2225 .2715 1.000 Molecule 22 Atom Peak x y z SOF Height Distances and Angles 119 27. .3419 .9340 .2210 1.000 Molecule 23 Atom Peak x y z SOF Height Distances and Angles 122 26. .3896 .9475 .1376 1.000 .00 0 148 1.512 0 176 1.899 74.2 0 246 1.808 70.8 101.2 148 24. .3860 .9106 .0887 1.000 .00 0 122 1.512 0 246 1.938 61.8 176 23. .3861 .8805 .1680 1.000 .00 0 122 1.899 246 20. .3175 .9523 .0880 1.000 .00 0 122 1.808 0 148 1.938 47.5 Molecule 24 Atom Peak x y z SOF Height Distances and Angles 125 26. .2583 .6111 .0290 1.000 Molecule 25 Atom Peak x y z SOF Height Distances and Angles 128 25. .2380 .8578 .4109 1.000 Molecule 26 Atom Peak x y z SOF Height Distances and Angles 134 25. .1296 .8176 .0926 1.000 Molecule 27 Atom Peak x y z SOF Height Distances and Angles 138 25. .3742 .4043 .5004 1.000 Molecule 28 Atom Peak x y z SOF Height Distances and Angles 155 24. .0220 .7410 .0783 1.000 Molecule 29 Atom Peak x y z SOF Height Distances and Angles 173 23. .3536 .3143 .0979 1.000 Molecule 30 Atom Peak x y z SOF Height Distances and Angles 174 23. .1594 .3620 .1615 1.000 Molecule 31 Atom Peak x y z SOF Height Distances and Angles 189 22. .2586 .7316 .0664 1.000 Molecule 32 Atom Peak x y z SOF Height Distances and Angles 213 21. .0509 .6056 .1033 1.000 .2 seconds elapsed time +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + klat083 finished at 11:49:48 Total elapsed time: 9.3 secs + +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++