192 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 13.456600 0.000000 0.000000 }, { 0.000000 18.997500 0.000000 }, { 0.000000 -9.498750 16.452318 }] Cu 9.940929 4.124072 13.349246 0.866174 Cu 12.199754 5.328609 14.044686 0.790974 Cu 9.940929 -0.000000 6.206143 0.865970 Cu 12.199754 0.000000 4.815264 0.791547 Cu 9.940929 -4.124072 13.349246 0.866283 Cu 12.199754 -5.328609 14.044686 0.791377 Cu 3.212629 5.374678 3.103072 0.835837 Cu 5.471454 4.170141 2.407632 0.768551 Cu 3.212629 9.498750 10.246175 0.866492 Cu 5.471454 9.498750 11.637054 0.791162 Cu 3.212629 13.622822 3.103072 0.866647 Cu 5.471454 14.827359 2.407632 0.790879 H 0.530190 5.412388 10.091852 0.103963 H 7.689101 7.549607 12.428081 0.109152 H 0.530190 -3.465144 6.719127 0.103957 H 7.689101 16.486980 3.700126 0.109190 H 0.530190 -1.947244 16.093657 0.104122 H 7.689101 4.459663 0.324111 0.109006 H 7.258490 4.086362 6.360466 0.104393 H 0.960801 1.949144 4.024237 0.109483 H 7.258490 12.963894 9.733191 0.104016 H 0.960801 -6.988230 12.752192 0.109342 H 7.258490 11.445994 0.358661 0.104331 H 0.960801 5.039087 16.128207 0.109201 H 0.530190 -5.412388 10.091852 0.103962 H 7.689101 11.447893 12.428081 0.109200 H 0.530190 3.465144 6.719127 0.104097 H 7.689101 2.510520 3.700126 0.109010 H 0.530190 1.947244 16.093657 0.103985 H 7.689101 14.537837 0.324111 0.109138 H 7.258490 14.911138 6.360466 0.104015 H 0.960801 -1.949144 4.024237 0.109346 H 7.258490 6.033606 9.733191 0.104321 H 0.960801 6.988230 12.752192 0.109206 H 7.258490 7.551506 0.358661 0.104403 H 0.960801 -5.039087 16.128207 0.109474 H 11.047869 2.793107 9.355611 0.141274 H 11.047869 -2.793107 9.355611 0.141327 H 11.047869 -0.000000 14.193415 0.141300 H 4.319569 6.705643 7.096707 0.141842 H 4.319569 12.291857 7.096707 0.141354 H 4.319569 9.498750 2.258903 0.141840 H 11.100349 9.498750 13.150338 0.135913 H 11.100349 16.137901 1.650990 0.135888 H 11.100349 2.859599 1.650990 0.135824 H 4.372049 0.000000 3.301980 0.136211 H 4.372049 -6.639151 14.801328 0.136193 H 4.372049 6.639151 14.801328 0.135905 C 0.152060 4.767423 9.537409 0.067140 C 12.522712 4.073064 9.989847 -0.057059 C 11.952152 4.293435 11.368552 0.592713 C 8.147971 8.350351 12.535021 0.082011 C 9.499014 8.293359 12.834453 -0.055744 C 10.161079 6.979681 13.043398 0.599206 C 0.152060 -3.622823 7.554904 0.067193 C 12.522712 -2.883820 7.930017 -0.057003 C 11.952152 -1.800013 7.049818 0.592764 C 8.147971 16.179221 2.953191 0.082143 C 9.499014 16.467033 2.852832 -0.055712 C 10.161079 -1.692677 3.886038 0.599261 C 0.152060 -1.144599 15.812323 0.067355 C 12.522712 -1.189244 14.984771 -0.057004 C 11.952152 -2.493422 14.486266 0.592779 C 8.147971 3.966678 0.964106 0.081304 C 9.499014 3.735858 0.765033 -0.056057 C 10.161079 -5.287004 15.975201 0.599351 C 6.880360 4.731327 6.914909 0.066033 C 5.794412 5.425686 6.462471 -0.052714 C 5.223852 5.205315 5.083766 0.589035 C 1.419671 1.148399 3.917297 0.081583 C 2.770714 1.205391 3.617865 -0.052270 C 3.432779 2.519069 3.408920 0.595455 C 6.880360 13.121573 8.897414 0.067247 C 5.794412 12.382570 8.522301 -0.057019 C 5.223852 11.298763 9.402500 0.592689 C 1.419671 -6.680471 13.499127 0.082155 C 2.770714 -6.968283 13.599486 -0.055367 C 3.432779 11.191427 12.566280 0.599175 C 6.880360 10.643349 0.639995 0.067083 C 5.794412 10.687994 1.467547 -0.056301 C 5.223852 11.992172 1.966052 0.592610 C 1.419671 5.532072 15.488212 0.082124 C 2.770714 5.762892 15.687285 -0.055812 C 3.432779 14.785754 0.477117 0.599193 C 0.152060 -4.767423 9.537409 0.067206 C 12.522712 -4.073064 9.989847 -0.057000 C 11.952152 -4.293435 11.368552 0.592766 C 8.147971 10.647149 12.535021 0.082127 C 9.499014 10.704141 12.834453 -0.055685 C 10.161079 -6.979681 13.043398 0.599263 C 0.152060 3.622823 7.554904 0.067394 C 12.522712 2.883820 7.930017 -0.057038 C 11.952152 1.800013 7.049818 0.592777 C 8.147971 2.818279 2.953191 0.081312 C 9.499014 2.530467 2.852832 -0.056063 C 10.161079 1.692677 3.886038 0.599348 C 0.152060 1.144599 15.812323 0.067091 C 12.522712 1.189244 14.984771 -0.057029 C 11.952152 2.493422 14.486266 0.592715 C 8.147971 15.030822 0.964106 0.082016 C 9.499014 15.261642 0.765033 -0.055762 C 10.161079 5.287004 15.975201 0.599221 C 6.880360 14.266173 6.914909 0.067242 C 5.794412 13.571814 6.462471 -0.057019 C 5.223852 13.792185 5.083766 0.592683 C 1.419671 -1.148399 3.917297 0.082165 C 2.770714 -1.205391 3.617865 -0.055350 C 3.432779 16.478431 3.408920 0.599174 C 6.880360 5.875927 8.897414 0.067085 C 5.794412 6.614929 8.522301 -0.056307 C 5.223852 7.698737 9.402500 0.592616 C 1.419671 6.680471 13.499127 0.082129 C 2.770714 6.968283 13.599486 -0.055812 C 3.432779 7.806073 12.566280 0.599184 C 6.880360 8.354151 0.639995 0.066034 C 5.794412 8.309506 1.467547 -0.052711 C 5.223852 7.005328 1.966052 0.589039 C 1.419671 -5.532072 15.488212 0.081570 C 2.770714 -5.762892 15.687285 -0.052290 C 3.432779 4.211746 0.477117 0.595452 C 11.901017 3.153585 9.147489 -0.077217 C 11.901017 -3.153585 9.147489 -0.077095 C 11.901017 0.000000 14.609658 -0.077213 C 5.172717 6.345165 7.304829 -0.077647 C 5.172717 12.652335 7.304829 -0.077135 C 5.172717 9.498750 1.842660 -0.077652 C 10.187992 9.498750 12.971008 -0.068647 C 10.187992 15.982597 1.740655 -0.068666 C 10.187992 3.014903 1.740655 -0.069147 C 3.459692 -0.000000 3.481310 -0.069464 C 3.459692 -6.483847 14.711663 -0.069478 C 3.459692 6.483847 14.711663 -0.068716 N 0.691669 4.562725 8.333922 -0.255751 N 0.691669 -4.562725 8.333922 -0.255922 N 0.691669 0.000000 16.236793 -0.255497 N 7.419969 4.936025 8.118396 -0.253137 N 7.419969 14.061475 8.118396 -0.255756 N 7.419969 9.498750 0.215525 -0.253133 N 7.461685 9.498750 12.389583 -0.217863 N 7.461685 15.479068 2.031368 -0.217982 N 7.461685 3.518432 2.031368 -0.215622 N 0.733385 0.000000 4.062735 -0.216865 N 0.733385 -5.980318 14.420950 -0.216836 N 0.733385 5.980318 14.420950 -0.217862 O 10.797576 3.853643 11.610401 -0.517256 O 12.685537 4.908004 12.192813 -0.527381 O 9.450570 5.957616 12.839389 -0.547625 O 11.349296 6.991080 13.418511 -0.507634 O 10.797576 -1.370670 7.309765 -0.517162 O 12.685537 -1.393467 6.105455 -0.527634 O 9.450570 -1.358321 4.873177 -0.547406 O 11.349296 -1.373519 3.688610 -0.507807 O 10.797576 -2.482973 13.984470 -0.517200 O 12.685537 -3.514537 14.606368 -0.527525 O 9.450570 -4.599295 15.192070 -0.547545 O 11.349296 -5.617561 15.797516 -0.507715 O 4.069276 5.645107 4.841917 -0.511027 O 5.957237 4.590746 4.259505 -0.520304 O 2.722270 3.541134 3.612929 -0.541520 O 4.620996 2.507670 3.033807 -0.501167 O 4.069276 10.869420 9.142553 -0.517130 O 5.957237 10.892217 10.346863 -0.527446 O 2.722270 10.857071 11.579141 -0.547410 O 4.620996 10.872269 12.763708 -0.507533 O 4.069276 11.981723 2.467848 -0.516935 O 5.957237 13.013288 1.845950 -0.527357 O 2.722270 14.098045 1.260248 -0.547499 O 4.620996 15.116311 0.654802 -0.507709 O 10.797576 -3.853643 11.610401 -0.517180 O 12.685537 -4.908004 12.192813 -0.527657 O 9.450570 -5.957616 12.839389 -0.547471 O 11.349296 -6.991080 13.418511 -0.507798 O 10.797576 1.370670 7.309765 -0.517212 O 12.685537 1.393467 6.105455 -0.527414 O 9.450570 1.358321 4.873177 -0.547511 O 11.349296 1.373519 3.688610 -0.507684 O 10.797576 2.482973 13.984470 -0.517218 O 12.685537 3.514538 14.606368 -0.527483 O 9.450570 4.599295 15.192070 -0.547598 O 11.349296 5.617561 15.797516 -0.507723 O 4.069276 13.352393 4.841917 -0.517138 O 5.957237 14.406754 4.259505 -0.527360 O 2.722270 15.456366 3.612929 -0.547412 O 4.620996 16.489830 3.033807 -0.507461 O 4.069276 8.128080 9.142553 -0.516933 O 5.957237 8.105283 10.346863 -0.527435 O 2.722270 8.140429 11.579141 -0.547481 O 4.620996 8.125231 12.763708 -0.507724 O 4.069276 7.015777 2.467848 -0.511030 O 5.957237 5.984212 1.845950 -0.520299 O 2.722270 4.899455 1.260248 -0.541530 O 4.620996 3.881189 0.654802 -0.501175 The following XYZ coordinates are in angstroms. Other properties are in atomic units. The sperically averaged electron density of each atom fit to a function of the form exp(a - br) eigen_1, eigen_2 and eigen_3 are the three eigenvalues of traceless quadrupole moment tensor atom number atomic symbol X Y Z net charge C6 coefficient C8 coefficient C10 coefficient fluctuating dipole atomic polarizability isotropic forcefield polarizability a b squared Pearson coefficient wp_QDO m_QDO q_QDO dipole_x dipole_y dipole_z dipole Qxy Qxz Qyz Q(x^2-y^2) Q(3z^2 - R^2) eigen_1 eigen_2 eigen_3 static polarizability alpha(xx) alpha(xy) alpha(xz) alpha(yy) alpha(yz) alpha(zz) atomic spin moment 1 Cu 9.940929 4.124072 13.349246 0.866174 47.442153 0.73878421E+03 0.18588408E+05 11.402223 9.388494 1.079462 2.277545 0.996401 39.732844 95.658416 0.544097 0.447410 -1.115133 -0.131892 -0.063262 -0.036537 0.150773 -0.071925 -0.041504 -0.021760 -0.098338 0.148604 -0.124510 0.062096 0.062414 13.696409 10.226398 -3.976475 -2.295936 15.279291 -0.263041 15.583538 0.658103 2 Cu 12.199754 5.328609 14.044686 0.790974 69.455826 0.11590176E+04 0.32344212E+05 14.287575 11.541822 1.279587 2.319721 0.994131 41.780099 102.862768 0.509225 0.431013 -1.135774 0.075760 0.038222 0.022088 0.087683 -0.126084 -0.072772 -0.042098 -0.207712 0.305033 -0.235042 0.109072 0.125970 18.056298 18.699276 -3.505445 -2.024053 17.793958 0.102980 17.675661 -0.691710 3 Cu 9.940929 -0.000000 6.206143 0.865970 47.448297 0.73889058E+03 0.18591902E+05 11.403788 9.389637 1.078922 2.277386 0.996397 39.732736 95.662743 0.544019 0.447454 -1.115096 -0.132040 -0.000035 0.073170 0.150958 0.000053 0.082984 0.000025 -0.135996 0.035506 -0.124447 0.062072 0.062374 13.698464 10.227783 -0.000887 4.592681 15.737888 -0.002018 15.129722 -0.654501 4 Cu 12.199754 0.000000 4.815264 0.791547 69.407706 0.11580726E+04 0.32310341E+05 14.280005 11.536259 1.279819 2.319952 0.994136 41.767008 102.809148 0.509419 0.430949 -1.135848 0.075504 -0.000003 -0.044027 0.087402 0.000018 0.144972 0.000016 -0.279595 0.085747 -0.234098 0.108591 0.125506 18.046176 18.687803 0.000792 4.045943 17.608254 -0.001712 17.842471 0.692740 5 Cu 9.940929 -4.124072 13.349246 0.866283 47.424848 0.73846604E+03 0.18578212E+05 11.399083 9.386107 1.079934 2.277760 0.996402 39.727837 95.637518 0.544203 0.447375 -1.115166 -0.132012 0.063322 -0.036611 0.150921 0.071811 -0.041384 0.021743 -0.098156 0.148283 -0.124275 0.061984 0.062291 13.692391 10.223473 3.974804 -2.295992 15.272928 0.262148 15.580772 0.657216 6 Cu 12.199754 -5.328609 14.044686 0.791377 69.418993 0.11582836E+04 0.32318135E+05 14.282290 11.537904 1.279453 2.319806 0.994133 41.769259 102.822270 0.509336 0.430993 -1.135803 0.075545 -0.038128 0.022028 0.087441 0.125671 -0.072520 0.042006 -0.207039 0.304030 -0.234277 0.108680 0.125597 18.049285 18.690990 3.505038 -2.022871 17.785320 -0.102429 17.671544 -0.691377 7 Cu 3.212629 5.374678 3.103072 0.835837 49.606916 0.77969194E+03 0.19909757E+05 11.801948 9.698148 0.977144 2.239896 0.995943 40.357345 98.300845 0.530246 0.452362 -1.110618 -0.128263 0.061766 0.035662 0.146759 0.072236 0.041701 -0.021899 -0.098332 0.148893 -0.124907 0.062276 0.062631 14.197936 10.595390 4.134812 2.387302 15.845054 -0.266757 16.153363 -0.000009 8 Cu 5.471454 4.170141 2.407632 0.768551 70.966443 0.11912741E+04 0.33513561E+05 14.548468 11.750440 1.195392 2.290617 0.993645 42.188996 104.699351 0.500921 0.434638 -1.132036 0.073521 -0.037017 -0.021372 0.085043 0.124197 0.071705 -0.041927 -0.202468 0.299285 -0.230836 0.106866 0.123970 18.389657 19.101931 3.545184 2.046893 18.097149 0.110467 17.969892 0.000393 9 Cu 3.212629 9.498750 10.246175 0.866492 47.393714 0.73795920E+03 0.18562000E+05 11.393497 9.382406 1.081451 2.278309 0.996408 39.719481 95.603882 0.544360 0.447329 -1.115211 -0.132153 -0.000005 -0.073220 0.151081 -0.000027 -0.082941 0.000074 -0.135977 0.035442 -0.124399 0.062059 0.062340 13.684589 10.217594 0.000803 -4.586045 15.721608 -0.000208 15.114564 0.659082 10 Cu 5.471454 9.498750 11.637054 0.791162 69.439568 0.11587422E+04 0.32334198E+05 14.284797 11.540050 1.279981 2.319880 0.994133 41.776452 102.845852 0.509297 0.430983 -1.135808 0.075746 -0.000023 0.044124 0.087661 -0.000031 -0.145473 0.000034 -0.280504 0.086104 -0.234888 0.108987 0.125901 18.051785 18.694090 0.000781 -4.045872 17.611587 -0.000662 17.849678 -0.693449 11 Cu 3.212629 13.622822 3.103072 0.866647 47.384311 0.73778845E+03 0.18556459E+05 11.391445 9.380853 1.082075 2.278522 0.996411 39.718176 95.594618 0.544451 0.447285 -1.115249 -0.132121 -0.063399 0.036600 0.151046 -0.071794 0.041409 0.021789 -0.098263 0.148218 -0.124303 0.062004 0.062299 13.681944 10.215759 -3.970274 2.293234 15.263020 0.262613 15.567052 -0.655612 12 Cu 5.471454 14.827359 2.407632 0.790879 69.459865 0.11591458E+04 0.32348807E+05 14.288348 11.542707 1.279453 2.319653 0.994130 41.781561 102.869277 0.509187 0.431031 -1.135757 0.075838 0.038246 -0.022111 0.087767 -0.126170 0.072800 0.042148 -0.207930 0.305142 -0.235206 0.109142 0.126064 18.056559 18.699703 -3.504287 2.024219 17.793855 -0.103601 17.676120 0.694686 13 H 0.530190 5.412388 10.091852 0.103963 1.199687 0.83480554E+01 0.82402988E+02 1.838354 1.668778 -0.891620 2.459803 0.998916 3.418985 9.436278 0.496027 1.250958 -0.716682 0.020812 0.031835 0.024585 0.045288 0.010222 0.002164 0.007677 -0.004032 -0.016037 -0.010864 -0.004819 0.015683 1.940491 1.700401 0.424712 0.256871 2.028188 0.606181 2.092882 -0.000255 14 H 7.689101 7.549607 12.428081 0.109152 1.179003 0.86034060E+01 0.85582749E+02 1.807330 1.686194 -1.228273 2.304980 0.995114 3.510323 9.732257 0.496838 1.239298 -0.718218 -0.024501 -0.040340 -0.006424 0.047633 0.011298 -0.000411 0.001259 -0.005480 -0.030057 -0.010363 -0.006293 0.016656 1.869301 1.928897 0.315874 0.178410 2.181144 0.092531 1.497860 0.000269 15 H 0.530190 -3.465144 6.719127 0.103957 1.199658 0.83476811E+01 0.82397524E+02 1.838246 1.668679 -0.891533 2.459827 0.998917 3.418865 9.435529 0.496074 1.250867 -0.716702 0.020816 0.005371 -0.039854 0.045282 -0.003239 -0.009927 0.000507 0.010164 0.026473 -0.010869 -0.004809 0.015678 1.940385 1.700321 0.010101 -0.496230 1.551655 -0.331068 2.569180 0.000260 16 H 7.689101 16.486980 3.700126 0.109190 1.178697 0.86005344E+01 0.85546896E+02 1.807028 1.685922 -1.227951 2.305172 0.995119 3.509724 9.730127 0.496874 1.239312 -0.718217 -0.024504 0.014600 0.038160 0.047642 -0.006008 -0.009582 0.007063 0.008929 0.013200 -0.010361 -0.006298 0.016658 1.868983 1.928525 -0.003457 -0.362707 1.588301 0.249541 2.090124 -0.000285 17 H 0.530190 -1.947244 16.093657 0.104122 1.199031 0.83426523E+01 0.82341614E+02 1.838200 1.668624 -0.891589 2.459969 0.998917 3.418478 9.436397 0.495846 1.251538 -0.716553 0.020802 -0.037222 0.015331 0.045313 -0.006943 0.007754 -0.008168 -0.003170 -0.013320 -0.010838 -0.004791 0.015629 1.940363 1.700311 -0.434857 0.239403 2.601466 -0.275146 1.519312 -0.000184 18 H 7.689101 4.459663 0.324111 0.109006 1.181519 0.86272841E+01 0.85884596E+02 1.810168 1.688742 -1.231258 2.303426 0.995066 3.515001 9.750670 0.496342 1.239606 -0.718133 -0.024483 0.025663 -0.031664 0.047546 -0.005254 0.009954 -0.008365 0.006813 0.006727 -0.010416 -0.006224 0.016639 1.872287 1.932161 -0.313107 0.184568 1.751446 -0.342846 1.933253 0.000247 19 H 7.258490 4.086362 6.360466 0.104393 1.199224 0.83446460E+01 0.82359616E+02 1.837727 1.668319 -0.894839 2.458520 0.998903 3.417812 9.431995 0.496156 1.250781 -0.716718 0.020953 -0.031901 -0.024480 0.045343 -0.010188 -0.002286 0.007637 -0.004028 -0.016613 -0.010788 -0.004954 0.015743 1.939739 1.699922 -0.424495 -0.256686 2.027379 0.605692 2.091914 0.000034 20 H 0.960801 1.949144 4.024237 0.109483 1.179600 0.86090370E+01 0.85654531E+02 1.808003 1.686780 -1.232587 2.303038 0.995082 3.511226 9.736309 0.496726 1.239349 -0.718196 -0.024685 0.040275 0.006438 0.047675 -0.011509 0.000437 0.001242 -0.005343 -0.029527 -0.010233 -0.006522 0.016755 1.870050 1.929711 -0.315880 -0.178542 2.182029 0.092549 1.498411 -0.000037 21 H 7.258490 12.963894 9.733191 0.104016 1.199320 0.83448482E+01 0.82363071E+02 1.837973 1.668454 -0.891323 2.459987 0.998919 3.418283 9.433738 0.496079 1.250954 -0.716685 0.020828 -0.005378 0.039865 0.045298 0.003236 0.009926 0.000503 0.010164 0.026472 -0.010868 -0.004808 0.015676 1.940076 1.700069 -0.010105 0.496130 1.551419 -0.330974 2.568742 -0.000258 22 H 0.960801 -6.988230 12.752192 0.109342 1.178265 0.85964452E+01 0.85496785E+02 1.806684 1.685595 -1.228016 2.305262 0.995120 3.508805 9.727313 0.496886 1.239421 -0.718195 -0.024512 -0.014607 -0.038181 0.047665 0.006022 0.009584 0.007067 0.008911 0.013227 -0.010363 -0.006304 0.016668 1.868651 1.928152 0.003491 0.362672 1.588007 0.249499 2.089793 0.000273 23 H 7.258490 11.445994 0.358661 0.104331 1.197902 0.83326038E+01 0.82208276E+02 1.836255 1.667027 -0.890908 2.460404 0.998929 3.415259 9.422040 0.496404 1.250649 -0.716762 0.020813 0.037267 -0.015271 0.045334 0.006973 -0.007752 -0.008188 -0.003152 -0.013464 -0.010868 -0.004801 0.015670 1.938185 1.698550 0.434176 -0.238994 2.598169 -0.274700 1.517837 0.000223 24 H 0.960801 5.039087 16.128207 0.109201 1.178770 0.86012778E+01 0.85556949E+02 1.807169 1.686047 -1.228125 2.305107 0.995115 3.509906 9.731083 0.496828 1.239389 -0.718199 -0.024510 -0.025759 0.031712 0.047644 0.005290 -0.009992 -0.008331 0.006756 0.006659 -0.010371 -0.006289 0.016660 1.869133 1.928709 0.312422 -0.184359 1.748695 -0.342092 1.929996 -0.000211 25 H 0.530190 -5.412388 10.091852 0.103962 1.199667 0.83477845E+01 0.82399254E+02 1.838300 1.668724 -0.891531 2.459834 0.998917 3.418901 9.435839 0.496050 1.250918 -0.716691 0.020816 -0.031831 0.024579 0.045284 -0.010220 0.002158 -0.007679 -0.004019 -0.016059 -0.010871 -0.004810 0.015681 1.940446 1.700370 -0.424717 0.256875 2.028151 -0.606164 2.092819 -0.000252 26 H 7.689101 11.447893 12.428081 0.109200 1.178670 0.86002774E+01 0.85543607E+02 1.806992 1.685891 -1.227983 2.305164 0.995119 3.509651 9.729848 0.496882 1.239304 -0.718219 -0.024502 0.040351 -0.006436 0.047644 -0.011303 -0.000414 -0.001260 -0.005488 -0.030044 -0.010361 -0.006298 0.016659 1.868945 1.928485 -0.315833 0.178353 2.180728 -0.092522 1.497621 0.000266 27 H 0.530190 3.465144 6.719127 0.104097 1.199139 0.83435562E+01 0.82353127E+02 1.838341 1.668737 -0.891579 2.459958 0.998917 3.418698 9.437288 0.495817 1.251572 -0.716545 0.020804 -0.005327 -0.039896 0.045309 0.003243 -0.009890 -0.000514 0.010089 0.026452 -0.010837 -0.004793 0.015630 1.940521 1.700437 -0.010101 -0.496358 1.551679 0.331058 2.569448 0.000255 28 H 7.689101 2.510520 3.700126 0.109010 1.181477 0.86269080E+01 0.85880022E+02 1.810138 1.688715 -1.231230 2.303445 0.995067 3.514936 9.750482 0.496341 1.239621 -0.718130 -0.024483 -0.014591 0.038059 0.047548 0.005994 -0.009528 -0.007114 0.008979 0.013227 -0.010415 -0.006224 0.016639 1.872256 1.932124 0.003288 -0.363435 1.590864 -0.250142 2.093779 -0.000248 29 H 0.530190 1.947244 16.093657 0.103985 1.199571 0.83470628E+01 0.82389935E+02 1.838162 1.668622 -0.891641 2.459803 0.998916 3.418731 9.435089 0.496080 1.250874 -0.716701 0.020810 0.037214 0.015273 0.045290 0.006983 0.007768 0.008181 -0.003151 -0.013408 -0.010862 -0.004817 0.015679 1.940275 1.700229 0.434741 0.239337 2.601344 0.275033 1.519251 -0.000182 30 H 7.689101 14.537837 0.324111 0.109138 1.179097 0.86042662E+01 0.85593491E+02 1.807423 1.686275 -1.228290 2.304957 0.995113 3.510512 9.732922 0.496827 1.239293 -0.718218 -0.024501 -0.025729 -0.031716 0.047625 0.005294 0.009988 0.008323 0.006760 0.006647 -0.010362 -0.006292 0.016654 1.869399 1.929006 0.312468 0.184361 1.748902 0.342161 1.930289 0.000209 31 H 7.258490 14.911138 6.360466 0.104015 1.199329 0.83449680E+01 0.82365256E+02 1.838054 1.668521 -0.891305 2.460002 0.998919 3.418336 9.434206 0.496040 1.251036 -0.716667 0.020829 0.031838 -0.024590 0.045301 0.010217 -0.002159 -0.007681 -0.004013 -0.016048 -0.010871 -0.004808 0.015678 1.940166 1.700143 0.424638 -0.256833 2.027874 -0.606042 2.092482 0.000258 32 H 0.960801 -1.949144 4.024237 0.109346 1.178293 0.85966877E+01 0.85499775E+02 1.806707 1.685614 -1.228035 2.305250 0.995120 3.508842 9.727439 0.496885 1.239414 -0.718196 -0.024512 -0.040369 0.006440 0.047665 0.011311 0.000424 -0.001260 -0.005511 -0.030038 -0.010364 -0.006304 0.016668 1.868675 1.928178 0.315836 -0.178315 2.180451 -0.092531 1.497396 -0.000275 33 H 7.258490 6.033606 9.733191 0.104321 1.197928 0.83328250E+01 0.82211036E+02 1.836285 1.667050 -0.890918 2.460394 0.998929 3.415314 9.422237 0.496400 1.250652 -0.716761 0.020813 0.005408 0.039908 0.045333 -0.003227 0.009916 -0.000496 0.010169 0.026501 -0.010868 -0.004802 0.015670 1.938218 1.698578 0.010113 0.495517 1.550045 0.330454 2.566031 -0.000216 34 H 0.960801 6.988230 12.752192 0.109206 1.178705 0.86006619E+01 0.85549113E+02 1.807093 1.685979 -1.228074 2.305139 0.995116 3.509764 9.730526 0.496842 1.239378 -0.718202 -0.024510 0.014586 -0.038168 0.047648 -0.006010 0.009577 -0.007070 0.008936 0.013214 -0.010371 -0.006290 0.016661 1.869053 1.928616 -0.003452 0.362726 1.588347 -0.249536 2.090195 0.000282 35 H 7.258490 7.551506 0.358661 0.104403 1.199184 0.83442627E+01 0.82354141E+02 1.837612 1.668224 -0.894836 2.458520 0.998903 3.417695 9.431296 0.496200 1.250697 -0.716737 0.020953 -0.037150 -0.015386 0.045342 -0.007072 -0.007676 0.008288 -0.002898 -0.013232 -0.010787 -0.004953 0.015740 1.939610 1.699816 -0.434502 -0.239255 2.600134 0.274875 1.518881 -0.000034 36 H 0.960801 -5.039087 16.128207 0.109474 1.179615 0.86091958E+01 0.85656667E+02 1.808032 1.686807 -1.232598 2.303031 0.995082 3.511283 9.736559 0.496716 1.239365 -0.718192 -0.024687 0.025713 0.031659 0.047675 -0.005377 -0.010185 0.008171 0.006660 0.006476 -0.010233 -0.006521 0.016755 1.870080 1.929748 -0.312568 -0.184289 1.749489 0.342293 1.931004 0.000027 37 H 11.047869 2.793107 9.355611 0.141274 1.205790 0.93361453E+01 0.94905430E+02 1.856201 1.777830 -1.169728 2.346139 0.996200 3.454235 9.719957 0.474612 1.269533 -0.713027 -0.043128 -0.013048 0.007529 0.045683 0.009292 -0.005363 -0.003451 0.012034 -0.019994 -0.008658 -0.007516 0.016174 1.857437 2.098011 0.265657 -0.153371 1.664728 0.125433 1.809574 0.000004 38 H 11.047869 -2.793107 9.355611 0.141327 1.206019 0.93388772E+01 0.94945642E+02 1.856907 1.778466 -1.169697 2.346211 0.996199 3.454789 9.723992 0.474349 1.270071 -0.712910 -0.043137 0.013042 0.007527 0.045690 -0.009306 -0.005372 0.003450 0.011999 -0.019968 -0.008647 -0.007529 0.016177 1.858154 2.098858 -0.265800 -0.153456 1.665325 -0.125538 1.810280 0.000000 39 H 11.047869 -0.000000 14.193415 0.141300 1.205658 0.93348105E+01 0.94888008E+02 1.856031 1.777676 -1.169577 2.346224 0.996202 3.453970 9.718860 0.474646 1.269495 -0.713035 -0.043127 -0.000001 -0.015068 0.045684 0.000001 0.010733 -0.000002 0.018017 -0.002062 -0.008665 -0.007516 0.016181 1.857263 2.097811 0.000003 0.306710 1.881800 -0.000005 1.592179 0.000561 40 H 4.319569 6.705643 7.096707 0.141842 1.206034 0.93395485E+01 0.94956771E+02 1.857117 1.778686 -1.174072 2.344473 0.996174 3.454186 9.723384 0.474244 1.270293 -0.712859 -0.043219 0.013121 -0.007442 0.045776 -0.009303 0.005289 -0.003593 0.012024 -0.020627 -0.008913 -0.007353 0.016265 1.858389 2.098951 -0.265721 0.153502 1.665520 0.125643 1.810695 0.000282 41 H 4.319569 12.291857 7.096707 0.141354 1.205813 0.93368035E+01 0.94918506E+02 1.856644 1.778229 -1.169427 2.346362 0.996201 3.454362 9.722218 0.474401 1.270013 -0.712924 -0.043146 -0.013040 -0.007526 0.045697 0.009315 0.005377 0.003446 0.012000 -0.019960 -0.008643 -0.007542 0.016184 1.857889 2.098558 0.265750 0.153429 1.665111 -0.125478 1.809998 0.000007 42 H 4.319569 9.498750 2.258903 0.141840 1.206022 0.93393557E+01 0.94953574E+02 1.857037 1.778614 -1.174092 2.344457 0.996174 3.454137 9.722933 0.474279 1.270216 -0.712876 -0.043217 0.000114 0.015084 0.045774 -0.000071 -0.010697 0.000066 0.018364 -0.001612 -0.008914 -0.007349 0.016263 1.858308 2.098859 0.000078 -0.306855 1.883123 -0.000043 1.592941 -0.000273 43 H 11.100349 9.498750 13.150338 0.135913 1.035905 0.74813321E+01 0.71399797E+02 1.619212 1.545159 -1.099912 2.378844 0.997481 3.207050 8.526011 0.536277 1.196737 -0.729248 0.043031 -0.000001 0.007669 0.043709 -0.000002 0.001951 0.000001 0.025203 -0.009236 -0.011062 -0.003297 0.014359 1.652636 2.104757 0.000002 0.162436 1.568829 0.000005 1.284321 -0.000450 44 H 11.100349 16.137901 1.650990 0.135888 1.036109 0.74832148E+01 0.71422386E+02 1.619422 1.545350 -1.100175 2.378690 0.997478 3.207461 8.527429 0.536245 1.196731 -0.729248 0.043023 0.006639 -0.003835 0.043700 0.001688 -0.000975 -0.003453 0.019201 -0.027188 -0.011054 -0.003295 0.014350 1.652856 2.105059 0.140701 -0.081233 1.355614 0.123229 1.497896 -0.000011 45 H 11.100349 2.859599 1.650990 0.135824 1.036238 0.74844435E+01 0.71437293E+02 1.619562 1.545472 -1.100111 2.378648 0.997475 3.208016 8.529191 0.536224 1.196725 -0.729246 0.043030 -0.006605 -0.003814 0.043700 -0.001686 -0.000972 0.003413 0.019248 -0.027133 -0.011014 -0.003349 0.014363 1.653027 2.105283 -0.140696 -0.081232 1.355742 -0.123247 1.498056 -0.000003 46 H 4.372049 0.000000 3.301980 0.136211 1.036424 0.74867838E+01 0.71469093E+02 1.620134 1.546024 -1.103722 2.377232 0.997451 3.207859 8.530850 0.535938 1.197205 -0.729133 0.043067 -0.000092 -0.007695 0.043749 -0.000062 -0.001973 -0.000035 0.025401 -0.008867 -0.011223 -0.003180 0.014403 1.653582 2.105931 -0.000028 -0.162534 1.569837 0.000009 1.284976 0.000223 47 H 4.372049 -6.639151 14.801328 0.136193 1.036460 0.74871170E+01 0.71473021E+02 1.620167 1.546055 -1.103732 2.377219 0.997451 3.207933 8.531073 0.535935 1.197199 -0.729135 0.043066 -0.006712 0.003768 0.043749 -0.001742 0.000934 -0.003597 0.019231 -0.027375 -0.011222 -0.003181 0.014403 1.653615 2.105974 -0.140775 0.081245 1.356225 0.123358 1.498648 -0.000223 48 H 4.372049 6.639151 14.801328 0.135905 1.035974 0.74820179E+01 0.71408455E+02 1.619325 1.545261 -1.099966 2.378810 0.997480 3.207255 8.526868 0.536239 1.196786 -0.729236 0.043033 0.006639 0.003832 0.043711 0.001694 0.000976 0.003448 0.019212 -0.027181 -0.011050 -0.003305 0.014355 1.652754 2.104916 0.140688 0.081227 1.355538 -0.123210 1.497809 0.000010 49 C 0.152060 4.767423 9.537409 0.067140 27.781654 0.33396763E+03 0.73749847E+04 8.052853 6.162758 0.018554 2.014065 0.999619 26.473638 74.564116 0.650388 0.426459 -1.054383 0.006747 -0.010832 -0.032859 0.035250 -0.036216 0.061683 -0.001291 -0.045837 -0.087387 -0.085589 0.014766 0.070823 9.218479 7.883035 2.113835 -1.863600 7.439877 3.015460 12.332524 0.000837 50 C 12.522712 4.073064 9.989847 -0.057059 39.208110 0.42782137E+03 0.99122252E+04 9.928880 6.796307 0.141865 2.051205 0.999383 26.948148 74.293291 0.652954 0.404869 -1.083120 -0.000313 -0.016368 -0.025380 0.030202 -0.006865 0.011606 0.003385 0.009047 -0.010763 -0.014976 0.000059 0.014917 13.184073 9.143030 1.711271 -3.134053 9.199834 5.735998 21.209354 0.001487 51 C 11.952152 4.293435 11.368552 0.592713 23.980835 0.25477319E+03 0.52880532E+04 7.702436 5.655302 -0.010015 2.056111 0.999668 22.160827 61.648558 0.626866 0.470749 -1.022816 -0.017417 0.002511 0.045503 0.048787 -0.046633 0.035155 -0.046408 -0.113321 -0.194861 -0.087444 -0.035044 0.122488 9.613619 7.693464 0.651119 -2.059035 5.851845 3.345527 15.295547 -0.000126 52 C 8.147971 8.350351 12.535021 0.082011 28.789091 0.33563644E+03 0.74170068E+04 8.273247 6.191369 0.035827 2.025731 0.999590 26.167987 73.596883 0.647159 0.428288 -1.053834 -0.016385 0.047958 -0.011529 0.051975 0.018704 -0.028004 -0.002461 -0.035287 0.196692 -0.063361 -0.009117 0.072478 9.910763 13.196033 -2.387946 2.736758 11.257569 -0.704549 5.278687 0.000051 53 C 9.499014 8.293359 12.834453 -0.055744 39.906880 0.42093405E+03 0.96965645E+04 9.981255 6.711808 0.187790 2.068296 0.999348 26.657251 72.871450 0.662531 0.401325 -1.087361 0.006321 0.027861 -0.003240 0.028752 0.013789 0.002184 0.006941 0.012792 0.018919 -0.019244 0.003614 0.015629 13.194855 13.999592 -4.243614 2.666278 19.783123 -1.582634 5.801851 0.000545 54 C 10.161079 6.979681 13.043398 0.599206 23.199426 0.24776336E+03 0.51109248E+04 7.544433 5.583883 -0.032180 2.050273 0.999581 22.052994 61.320569 0.629183 0.471918 -1.021359 0.019616 -0.044137 -0.001047 0.048311 0.017878 -0.049830 0.015712 0.041690 0.296528 -0.083516 -0.032943 0.116459 9.328676 9.923248 -3.608976 1.849561 13.174892 -1.225412 4.887887 0.000705 55 C 0.152060 -3.622823 7.554904 0.067193 27.779403 0.33393448E+03 0.73740804E+04 8.052491 6.162533 0.018681 2.014127 0.999620 26.472220 74.559614 0.650386 0.426470 -1.054374 0.006778 -0.023050 0.025835 0.035280 0.071527 0.000556 0.029485 0.003153 0.059115 -0.085581 0.014748 0.070833 9.218006 7.882818 -2.670460 -0.899187 8.496988 -3.625774 11.274211 -0.000817 56 C 12.522712 -2.883820 7.930017 -0.057003 39.204047 0.42777307E+03 0.99108133E+04 9.928266 6.795955 0.142158 2.051333 0.999383 26.946200 74.286500 0.652967 0.404873 -1.083119 -0.000352 -0.013823 0.026848 0.030200 0.013515 0.000163 -0.001308 0.012666 -0.000072 -0.015008 0.000050 0.014958 13.183327 9.142681 -3.569296 0.084606 13.238142 -8.067569 17.169157 -0.001405 57 C 11.952152 -1.800013 7.049818 0.592764 23.979160 0.25475530E+03 0.52875895E+04 7.702081 5.655112 -0.010000 2.056131 0.999668 22.160041 61.645853 0.626875 0.470750 -1.022815 -0.017394 0.038123 -0.024970 0.048779 0.053789 0.022801 0.089917 -0.037955 0.031262 -0.087453 -0.035039 0.122491 9.613150 7.693217 -2.108493 0.465538 10.036708 -5.761659 11.109523 0.000133 58 C 8.147971 16.179221 2.953191 0.082143 28.783934 0.33557227E+03 0.74152094E+04 8.272276 6.190797 0.035990 2.025840 0.999590 26.164772 73.585151 0.647188 0.428290 -1.053836 -0.016382 -0.033982 -0.035752 0.051975 -0.033599 -0.002191 -0.033760 -0.098000 0.008735 -0.063384 -0.009144 0.072528 9.909404 13.193881 3.563305 0.699024 7.382807 2.940720 9.151522 0.000056 59 C 9.499014 16.467033 2.852832 -0.055712 39.904356 0.42091064E+03 0.96958931E+04 9.980913 6.711681 0.188023 2.068396 0.999348 26.656200 72.868151 0.662528 0.401332 -1.087356 0.006311 -0.016720 -0.022496 0.028731 -0.005000 -0.013043 -0.010345 0.006870 0.001296 -0.019251 0.003616 0.015635 13.194231 13.998586 4.430443 2.341226 10.667916 6.845234 14.916190 0.000236 60 C 10.161079 -1.692677 3.886038 0.599261 23.198193 0.24775245E+03 0.51106395E+04 7.544215 5.583816 -0.032150 2.050303 0.999581 22.052056 61.317444 0.629178 0.471928 -1.021355 0.019642 0.021180 0.038704 0.048295 -0.052086 0.009423 -0.081101 -0.071516 -0.043155 -0.083534 -0.032930 0.116463 9.328244 9.922463 3.405931 2.200119 8.020952 4.200917 10.041319 -0.000515 61 C 0.152060 -1.144599 15.812323 0.067355 27.771110 0.33383081E+03 0.73711764E+04 8.051065 6.161638 0.019417 2.014500 0.999619 26.465749 74.536868 0.650427 0.426479 -1.054375 0.006708 0.033888 0.007191 0.035286 -0.035195 -0.062169 -0.028242 0.005335 0.066135 -0.085506 0.014657 0.070849 9.216159 7.881437 0.555286 2.761930 13.716643 0.608937 6.050398 0.000814 62 C 12.522712 -1.189244 14.984771 -0.057004 39.199404 0.42774147E+03 0.99097803E+04 9.927031 6.795443 0.142166 2.051328 0.999383 26.945320 74.280064 0.653037 0.404842 -1.083152 -0.000355 0.030141 -0.001434 0.030177 -0.006606 -0.011733 -0.002127 0.006764 -0.017525 -0.014979 0.000102 0.014877 13.180744 9.141327 1.856772 3.048370 23.167722 2.329818 7.233184 0.000740 63 C 11.952152 -2.493422 14.486266 0.592779 23.977819 0.25474942E+03 0.52873907E+04 7.701579 5.654961 -0.010021 2.056133 0.999668 22.159083 61.640973 0.626903 0.470736 -1.022831 -0.017425 -0.040690 -0.020496 0.048779 -0.007134 -0.057946 -0.043534 0.042438 0.272517 -0.087462 -0.035045 0.122508 9.611855 7.692871 1.456977 1.593240 15.827975 2.415236 5.314720 -0.000373 64 C 8.147971 3.966678 0.964106 0.081304 28.824713 0.33606648E+03 0.74292786E+04 8.281174 6.195830 0.034024 2.024901 0.999587 26.188667 73.681440 0.646814 0.428356 -1.053736 -0.016350 -0.013918 0.047101 0.051764 0.014915 0.030241 0.036159 -0.093202 0.021417 -0.063180 -0.009159 0.072340 9.922064 13.214859 -1.176947 -3.443487 6.167611 -2.239037 10.383724 -0.000598 65 C 9.499014 3.735858 0.765033 -0.056057 39.939745 0.42125694E+03 0.97061938E+04 9.987249 6.714638 0.186875 2.067831 0.999348 26.669508 72.921304 0.662331 0.401356 -1.087304 0.006331 -0.011093 0.025846 0.028829 -0.008746 0.010793 0.003237 -0.004909 -0.034415 -0.019034 0.003480 0.015555 13.204243 14.012476 -0.187172 -5.013411 7.930554 -5.266024 17.669700 0.000019 66 C 10.161079 -5.287004 15.975201 0.599351 23.200927 0.24775846E+03 0.51108520E+04 7.545149 5.583998 -0.032398 2.050194 0.999581 22.053058 61.323027 0.629141 0.471947 -1.021333 0.019646 0.023011 -0.037689 0.048331 0.034162 0.040487 0.065396 -0.098614 -0.124985 -0.083638 -0.032810 0.116447 9.330322 9.925803 0.203381 -4.052261 5.898562 -2.976061 12.166602 0.000514 67 C 6.880360 4.731327 6.914909 0.066033 27.797309 0.33423220E+03 0.73817797E+04 8.054488 6.164400 0.021073 2.014736 0.999624 26.480344 74.571027 0.650472 0.426348 -1.054524 0.007213 0.010522 0.033320 0.035678 0.036524 -0.062183 -0.001400 -0.045771 -0.089963 -0.086349 0.014737 0.071613 9.219956 7.886258 -2.114896 1.864970 7.440726 3.014657 12.332884 -0.000008 68 C 5.794412 5.425686 6.462471 -0.052714 39.093661 0.42646139E+03 0.98716295E+04 9.906079 6.782542 0.149602 2.053828 0.999406 26.905052 74.110329 0.654125 0.404517 -1.083490 -0.001507 0.016010 0.023623 0.028577 0.007445 -0.010168 0.003498 0.008341 -0.007223 -0.014178 0.000607 0.013571 13.151226 9.124519 -1.708442 3.126649 9.178766 5.718365 21.150393 -0.000354 69 C 5.223852 5.205315 5.083766 0.589035 24.067407 0.25579209E+03 0.53139530E+04 7.718941 5.665340 -0.007681 2.056194 0.999667 22.197846 61.758328 0.626584 0.470540 -1.023035 -0.017323 -0.002911 -0.045980 0.049221 0.047794 -0.033374 -0.046211 -0.114067 -0.186776 -0.084064 -0.037927 0.121991 9.637791 7.709930 -0.650986 2.070502 5.862169 3.356372 15.341274 -0.000110 70 C 1.419671 1.148399 3.917297 0.081583 28.808635 0.33587450E+03 0.74235792E+04 8.277289 6.193732 0.034865 2.025307 0.999590 26.176647 73.627616 0.647010 0.428311 -1.053820 -0.016809 -0.048245 0.011575 0.052384 -0.019289 0.028223 -0.002505 -0.034750 0.199593 -0.064046 -0.009451 0.073497 9.917088 13.204367 2.391416 -2.739081 11.265621 -0.705816 5.281276 -0.000590 71 C 2.770714 1.205391 3.617865 -0.052270 39.831535 0.42000267E+03 0.96688757E+04 9.965973 6.701858 0.193727 2.070222 0.999366 26.629329 72.750103 0.663457 0.401023 -1.087664 0.007124 -0.026358 0.002996 0.027467 -0.012598 -0.002012 0.006284 0.011465 0.018756 -0.017730 0.003511 0.014219 13.175322 13.976324 4.234897 -2.661687 19.755937 -1.580665 5.793705 -0.000123 72 C 3.432779 2.519069 3.408920 0.595455 23.286530 0.24875668E+03 0.51360353E+04 7.561243 5.593597 -0.030503 2.050116 0.999578 22.091948 61.436398 0.628947 0.471671 -1.021596 0.019980 0.044535 0.000287 0.048813 -0.015687 0.050215 0.015154 0.038595 0.294583 -0.080539 -0.035470 0.116009 9.354017 9.945473 3.624158 -1.855348 13.219968 -1.231963 4.896609 -0.000091 73 C 6.880360 13.121573 8.897414 0.067247 27.775435 0.33388897E+03 0.73727695E+04 8.051621 6.162051 0.019000 2.014270 0.999620 26.469577 74.548816 0.650426 0.426461 -1.054388 0.006797 0.023032 -0.025828 0.035267 -0.071526 -0.000562 0.029477 0.003189 0.059018 -0.085563 0.014726 0.070837 9.216724 7.881955 2.670045 0.899204 8.495643 -3.624895 11.272573 0.000839 74 C 5.794412 12.382570 8.522301 -0.057019 39.203652 0.42778330E+03 0.99111042E+04 9.928113 6.796037 0.142098 2.051307 0.999383 26.946574 74.287604 0.652964 0.404873 -1.083119 -0.000361 0.013832 -0.026827 0.030185 -0.013498 -0.000141 -0.001336 0.012723 -0.000062 -0.015008 0.000052 0.014956 13.182368 9.142260 3.568797 -0.084165 13.236767 -8.066380 17.168076 0.001508 75 C 5.223852 11.298763 9.402500 0.592689 23.980611 0.25477616E+03 0.52880893E+04 7.702133 5.655203 -0.009739 2.056190 0.999669 22.160608 61.646243 0.626898 0.470727 -1.022835 -0.017431 -0.038078 0.024946 0.048745 -0.053792 -0.022770 0.089924 -0.037889 0.031219 -0.087485 -0.034987 0.122471 9.612791 7.693163 2.108082 -0.464933 10.035812 -5.760994 11.109397 -0.000133 76 C 1.419671 -6.680471 13.499127 0.082155 28.777113 0.33548676E+03 0.74126806E+04 8.270657 6.189768 0.036444 2.026085 0.999589 26.159238 73.561006 0.647294 0.428257 -1.053880 -0.016399 0.034011 0.035701 0.051964 0.033638 0.002120 -0.033797 -0.098035 0.008688 -0.063393 -0.009208 0.072601 9.907310 13.190511 -3.561787 -0.698318 7.380841 2.940181 9.150578 -0.000007 77 C 2.770714 -6.968283 13.599486 -0.055367 39.884915 0.42069851E+03 0.96897446E+04 9.977808 6.710066 0.187873 2.068446 0.999346 26.649082 72.842943 0.662599 0.401341 -1.087355 0.006515 0.016814 0.022525 0.028853 0.005074 0.013205 -0.010400 0.007001 0.001270 -0.019446 0.003637 0.015810 13.189818 13.993404 -4.427452 -2.338743 10.663402 6.842505 14.912647 0.000194 78 C 3.432779 11.191427 12.566280 0.599175 23.196966 0.24774278E+03 0.51102805E+04 7.543476 5.583400 -0.031638 2.050483 0.999581 22.050389 61.307563 0.629266 0.471876 -1.021405 0.019624 -0.021091 -0.038735 0.048274 0.052074 -0.009395 -0.081063 -0.071550 -0.043122 -0.083510 -0.032915 0.116425 9.327274 9.921001 -3.404944 -2.199308 8.019646 4.200538 10.041175 0.000619 79 C 6.880360 10.643349 0.639995 0.067083 27.757831 0.33369073E+03 0.73666471E+04 8.046523 6.159125 0.021521 2.015231 0.999621 26.456036 74.480350 0.650812 0.426310 -1.054575 0.006811 -0.033802 -0.007034 0.035191 0.035093 0.062128 -0.028090 0.005399 0.065648 -0.085302 0.014551 0.070751 9.210128 7.877275 -0.555357 -2.760078 13.706205 0.609167 6.046904 -0.000801 80 C 5.794412 10.687994 1.467547 -0.056301 39.161341 0.42732469E+03 0.98975959E+04 9.920974 6.792410 0.142430 2.051621 0.999381 26.930395 74.226590 0.653151 0.404875 -1.083143 -0.000523 -0.030080 0.001585 0.030127 0.006930 0.011827 -0.002268 0.007288 -0.017531 -0.015221 -0.000017 0.015238 13.171549 9.135318 -1.851683 -3.045578 23.150900 2.326383 7.228429 -0.001088 81 C 5.223852 11.992172 1.966052 0.592610 23.974741 0.25473025E+03 0.52867600E+04 7.700401 5.654417 -0.009212 2.056444 0.999667 22.156670 61.627825 0.627004 0.470681 -1.022887 -0.017422 0.040584 0.020529 0.048704 0.007100 0.057994 -0.043485 0.042329 0.272341 -0.087374 -0.035102 0.122476 9.610282 7.690996 -1.454310 -1.592244 15.826369 2.414033 5.313483 0.000283 82 C 1.419671 5.532072 15.488212 0.082124 28.785841 0.33559213E+03 0.74157968E+04 8.272784 6.191062 0.035724 2.025748 0.999590 26.165699 73.589755 0.647158 0.428302 -1.053823 -0.016386 0.013890 -0.047351 0.051996 -0.014907 -0.030200 0.036201 -0.093722 0.021390 -0.063367 -0.009149 0.072516 9.910137 13.195327 1.176448 3.435818 6.163038 -2.236303 10.372046 0.001132 83 C 2.770714 5.762892 15.687285 -0.055812 39.910593 0.42097639E+03 0.96978182E+04 9.981905 6.712191 0.187694 2.068248 0.999347 26.658728 72.877381 0.662503 0.401331 -1.087354 0.006342 0.011052 -0.025770 0.028749 0.008823 -0.010831 0.003351 -0.005100 -0.034727 -0.019207 0.003544 0.015662 13.195610 14.000682 0.187646 5.008424 7.926865 -5.262659 17.659284 -0.000217 84 C 3.432779 14.785754 0.477117 0.599193 23.201082 0.24778031E+03 0.51113459E+04 7.544677 5.584004 -0.032158 2.050253 0.999581 22.053653 61.322212 0.629190 0.471907 -1.021369 0.019611 -0.022993 0.037660 0.048286 -0.034150 -0.040419 0.065369 -0.098707 -0.124832 -0.083553 -0.032866 0.116419 9.328888 9.923689 -0.202341 4.050199 5.898503 -2.975473 12.164472 -0.000500 85 C 0.152060 -4.767423 9.537409 0.067206 27.779451 0.33393489E+03 0.73741004E+04 8.052531 6.162553 0.018663 2.014128 0.999619 26.472211 74.559929 0.650381 0.426472 -1.054372 0.006776 0.010850 -0.032878 0.035279 0.036243 0.061662 0.001263 -0.045739 -0.087533 -0.085577 0.014747 0.070830 9.218057 7.882842 -2.113979 -1.863060 7.439965 -3.015513 12.331366 0.000840 86 C 12.522712 -4.073064 9.989847 -0.057000 39.204066 0.42777315E+03 0.99108168E+04 9.928267 6.795953 0.142179 2.051341 0.999383 26.946210 74.286558 0.652968 0.404873 -1.083119 -0.000345 0.016337 -0.025393 0.030197 0.006900 0.011627 -0.003382 0.009075 -0.010843 -0.015013 0.000051 0.014961 13.183325 9.142653 -1.711431 -3.133273 9.199750 -5.736027 21.207570 0.001487 87 C 11.952152 -4.293435 11.368552 0.592766 23.979285 0.25475698E+03 0.52876395E+04 7.702128 5.655146 -0.010024 2.056122 0.999668 22.160193 61.646608 0.626870 0.470753 -1.022812 -0.017411 -0.002553 0.045499 0.048784 0.046645 0.035178 0.046414 -0.113305 -0.194836 -0.087453 -0.035041 0.122494 9.613200 7.693198 -0.651100 -2.058666 5.851640 -3.345450 15.294763 -0.000133 88 C 8.147971 10.647149 12.535021 0.082127 28.783605 0.33557057E+03 0.74151484E+04 8.272198 6.190783 0.036006 2.025847 0.999590 26.164491 73.583786 0.647190 0.428291 -1.053837 -0.016378 -0.047952 -0.011553 0.051972 -0.018690 -0.028008 0.002446 -0.035294 0.196863 -0.063383 -0.009146 0.072529 9.909249 13.193608 2.386967 2.736334 11.255936 0.704469 5.278202 0.000049 89 C 9.499014 10.704141 12.834453 -0.055685 39.901376 0.42088348E+03 0.96950781E+04 9.980330 6.711413 0.188084 2.068425 0.999348 26.655280 72.864112 0.662551 0.401326 -1.087364 0.006315 -0.027846 -0.003232 0.028735 -0.013799 0.002190 -0.006940 0.012795 0.019019 -0.019266 0.003628 0.015638 13.193269 13.997640 4.242378 2.666059 19.780644 1.582906 5.801522 0.000545 90 C 10.161079 -6.979681 13.043398 0.599263 23.197751 0.24774955E+03 0.51105586E+04 7.544085 5.583768 -0.032131 2.050312 0.999580 22.051873 61.316575 0.629184 0.471925 -1.021357 0.019625 0.044122 -0.001017 0.048300 -0.017881 -0.049822 -0.015721 0.041710 0.296572 -0.083532 -0.032937 0.116469 9.327997 9.922375 3.608191 1.849556 13.173732 1.225553 4.887884 0.000699 91 C 0.152060 3.622823 7.554904 0.067394 27.771493 0.33383084E+03 0.73712282E+04 8.051288 6.161727 0.019265 2.014449 0.999619 26.466142 74.539927 0.650404 0.426491 -1.054360 0.006719 0.023185 0.025759 0.035301 -0.071468 0.000606 -0.029616 0.002996 0.059115 -0.085543 0.014658 0.070886 9.216477 7.881678 2.669629 -0.900126 8.494575 3.624224 11.273178 -0.000831 92 C 12.522712 2.883820 7.930017 -0.057038 39.201794 0.42776509E+03 0.99104925E+04 9.927498 6.795668 0.142184 2.051326 0.999383 26.946122 74.283578 0.653019 0.404846 -1.083146 -0.000360 0.013835 0.026822 0.030182 -0.013463 0.000149 0.001287 0.012615 0.000119 -0.014978 0.000109 0.014869 13.181500 9.141905 3.568771 0.084013 13.235380 8.065316 17.167215 -0.001411 93 C 11.952152 1.800013 7.049818 0.592777 23.978274 0.25475273E+03 0.52874812E+04 7.701708 5.655012 -0.010036 2.056125 0.999668 22.159239 61.641710 0.626898 0.470738 -1.022829 -0.017417 -0.038091 -0.024995 0.048775 -0.053762 0.022784 -0.089948 -0.037982 0.031337 -0.087465 -0.035039 0.122504 9.612106 7.693060 2.108468 0.465325 10.035036 5.760222 11.108222 0.000131 94 C 8.147971 2.818279 2.953191 0.081312 28.824272 0.33606103E+03 0.74291242E+04 8.281084 6.195776 0.034023 2.024906 0.999587 26.188376 73.680329 0.646818 0.428356 -1.053737 -0.016347 0.033832 -0.035603 0.051763 0.033648 -0.002202 0.033623 -0.097600 0.008234 -0.063182 -0.009161 0.072343 9.921942 13.214643 -3.570558 0.702462 7.390552 -2.945119 9.160631 0.000600 95 C 9.499014 2.530467 2.852832 -0.056063 39.939718 0.42125754E+03 0.97062085E+04 9.987237 6.714641 0.186885 2.067833 0.999348 26.669520 72.921279 0.662331 0.401355 -1.087304 0.006326 0.016836 -0.022525 0.028824 0.004972 -0.012972 0.010131 0.007031 0.001421 -0.019033 0.003477 0.015556 13.204209 14.012324 -4.435246 2.344545 10.674390 -6.850206 14.925915 0.000040 96 C 10.161079 1.692677 3.886038 0.599348 23.200867 0.24775804E+03 0.51108332E+04 7.545104 5.583974 -0.032343 2.050212 0.999581 22.052928 61.322294 0.629147 0.471944 -1.021336 0.019661 -0.021131 0.038759 0.048325 0.052136 0.009341 0.081114 -0.071393 -0.043348 -0.083639 -0.032807 0.116446 9.330255 9.925619 -3.407582 2.202196 8.022204 -4.202181 10.042942 -0.000522 97 C 0.152060 1.144599 15.812323 0.067091 27.781114 0.33396560E+03 0.73748682E+04 8.052568 6.162633 0.018725 2.014117 0.999620 26.473186 74.560488 0.650416 0.426444 -1.054401 0.006737 -0.033861 0.007043 0.035235 0.035298 -0.062183 0.028185 0.005231 0.065783 -0.085556 0.014765 0.070791 9.218084 7.882746 -0.557046 2.762315 13.720129 -0.610868 6.051375 0.000824 98 C 12.522712 1.189244 14.984771 -0.057029 39.205752 0.42779828E+03 0.99115279E+04 9.928421 6.796089 0.141823 2.051199 0.999383 26.947354 74.289787 0.652971 0.404865 -1.083126 -0.000314 -0.030162 -0.001490 0.030200 0.006621 -0.011744 0.002078 0.006801 -0.017597 -0.014974 0.000052 0.014922 13.183331 9.142483 -1.858298 3.048780 23.173185 -2.332043 7.234325 0.000744 99 C 11.952152 2.493422 14.486266 0.592715 23.980220 0.25476782E+03 0.52879024E+04 7.702251 5.655212 -0.009979 2.056127 0.999668 22.160497 61.646975 0.626878 0.470744 -1.022821 -0.017410 0.040667 -0.020573 0.048787 0.007118 -0.057957 0.043521 0.042448 0.272427 -0.087440 -0.035050 0.122489 9.613303 7.693282 -1.457481 1.593355 15.831297 -2.416315 5.315331 -0.000367 100 C 8.147971 15.030822 0.964106 0.082016 28.789984 0.33564484E+03 0.74172633E+04 8.273467 6.191468 0.035746 2.025699 0.999590 26.168620 73.599804 0.647148 0.428291 -1.053828 -0.016398 0.014001 0.047305 0.051988 -0.014888 0.030203 -0.036177 -0.093682 0.021506 -0.063363 -0.009112 0.072475 9.911109 13.196635 1.176194 -3.436569 6.163393 2.236717 10.373300 -0.001125 101 C 9.499014 15.261642 0.765033 -0.055762 39.909715 0.42095784E+03 0.96972885E+04 9.981844 6.712064 0.187668 2.068251 0.999347 26.658037 72.875218 0.662506 0.401333 -1.087352 0.006327 0.011125 0.025742 0.028748 0.008781 0.010850 -0.003382 -0.005121 -0.034759 -0.019233 0.003609 0.015624 13.195852 14.000734 0.187219 -5.008794 7.927039 5.263180 17.659782 0.000236 102 C 10.161079 5.287004 15.975201 0.599221 23.199675 0.24776342E+03 0.51109450E+04 7.544582 5.583936 -0.032296 2.050235 0.999580 22.053198 61.321990 0.629169 0.471927 -1.021350 0.019627 -0.022971 -0.037693 0.048308 -0.034217 0.040411 -0.065358 -0.098736 -0.124765 -0.083515 -0.032934 0.116449 9.328959 9.923505 -0.202797 -4.050463 5.898519 2.975822 12.164852 0.000517 103 C 6.880360 14.266173 6.914909 0.067242 27.775884 0.33389516E+03 0.73729556E+04 8.051759 6.162137 0.018988 2.014270 0.999620 26.469808 74.550218 0.650415 0.426465 -1.054383 0.006797 -0.010850 0.032864 0.035270 -0.036245 -0.061661 0.001270 -0.045668 -0.087558 -0.085563 0.014729 0.070834 9.216890 7.882093 2.113831 1.862714 7.439258 -3.014982 12.329318 -0.000821 104 C 5.794412 13.571814 6.462471 -0.057019 39.203743 0.42778442E+03 0.99111371E+04 9.928115 6.796036 0.142125 2.051314 0.999383 26.946648 74.287839 0.652965 0.404872 -1.083120 -0.000362 -0.016314 0.025390 0.030181 -0.006873 -0.011613 -0.003411 0.009131 -0.010815 -0.015005 0.000055 0.014950 13.182352 9.142277 1.711568 3.132677 9.199606 -5.735505 21.205172 -0.001464 105 C 5.223852 13.792185 5.083766 0.592683 23.980908 0.25477963E+03 0.52881814E+04 7.702195 5.655241 -0.009735 2.056189 0.999669 22.160790 61.646935 0.626896 0.470727 -1.022835 -0.017444 0.002559 -0.045445 0.048745 -0.046616 -0.035195 0.046409 -0.113258 -0.194909 -0.087482 -0.034989 0.122471 9.612869 7.693178 0.651419 2.058056 5.851900 -3.345453 15.293529 0.000151 106 C 1.419671 -1.148399 3.917297 0.082165 28.776651 0.33548105E+03 0.74125165E+04 8.270537 6.189695 0.036470 2.026092 0.999589 26.159038 73.560045 0.647302 0.428254 -1.053882 -0.016399 0.047928 0.011601 0.051968 0.018655 0.028077 0.002444 -0.035264 0.197015 -0.063398 -0.009208 0.072605 9.907144 13.190289 -2.385583 -2.735367 11.254224 0.703754 5.276920 0.000010 107 C 2.770714 -1.205391 3.617865 -0.055350 39.883410 0.42068418E+03 0.96893076E+04 9.977483 6.709901 0.187938 2.068470 0.999346 26.648624 72.840694 0.662616 0.401335 -1.087361 0.006518 0.027912 0.003300 0.028853 0.013971 -0.002204 -0.006990 0.012905 0.018997 -0.019447 0.003642 0.015805 13.189316 13.993021 -4.238953 -2.664834 19.775169 1.581211 5.799757 -0.000170 108 C 3.432779 16.478431 3.408920 0.599174 23.196921 0.24774317E+03 0.51102860E+04 7.543434 5.583386 -0.031631 2.050485 0.999581 22.050384 61.307358 0.629271 0.471873 -1.021407 0.019612 -0.044100 0.001105 0.048277 0.017899 0.049798 -0.015701 0.041639 0.296499 -0.083505 -0.032922 0.116427 9.327203 9.921062 -3.607129 -1.849144 13.173303 1.224915 4.887243 -0.000609 109 C 6.880360 5.875927 8.897414 0.067085 27.758001 0.33369223E+03 0.73666977E+04 8.046582 6.159150 0.021526 2.015230 0.999621 26.456169 74.481116 0.650808 0.426311 -1.054572 0.006809 -0.022994 -0.025755 0.035191 0.071350 -0.000671 -0.029426 0.003078 0.058694 -0.085300 0.014551 0.070749 9.210216 7.877359 -2.668009 0.899102 8.489355 3.621195 11.263933 0.000821 110 C 5.794412 6.614929 8.522301 -0.056307 39.162343 0.42733392E+03 0.98978869E+04 9.921228 6.792537 0.142400 2.051612 0.999381 26.930654 74.228179 0.653135 0.404881 -1.083136 -0.000525 -0.013671 -0.026845 0.030130 0.013708 0.000093 0.001084 0.013097 -0.000124 -0.015221 -0.000020 0.015241 13.171963 9.135588 -3.563540 -0.080869 13.224204 8.058145 17.156098 0.001123 111 C 5.223852 7.698737 9.402500 0.592616 23.974716 0.25472921E+03 0.52867411E+04 7.700441 5.654433 -0.009234 2.056437 0.999667 22.156691 61.628211 0.626998 0.470685 -1.022883 -0.017408 0.038071 0.024890 0.048703 0.053780 -0.022841 -0.089867 -0.038008 0.031319 -0.087379 -0.035093 0.122473 9.610362 7.691081 -2.106162 -0.463423 10.032444 5.759287 11.107562 -0.000260 112 C 1.419671 6.680471 13.499127 0.082129 28.785288 0.33558590E+03 0.74156096E+04 8.272625 6.190971 0.035806 2.025777 0.999590 26.165383 73.588128 0.647169 0.428297 -1.053828 -0.016377 -0.034058 0.035695 0.051983 -0.033610 0.002186 0.033762 -0.097952 0.008707 -0.063368 -0.009153 0.072520 9.909908 13.194926 3.563607 -0.699049 7.382937 -2.940639 9.151861 -0.000059 113 C 2.770714 6.968283 13.599486 -0.055812 39.910257 0.42097464E+03 0.96977602E+04 9.981822 6.712164 0.187746 2.068265 0.999348 26.658671 72.876971 0.662506 0.401329 -1.087356 0.006334 -0.016797 0.022461 0.028753 -0.004966 0.013061 0.010301 0.006938 0.001356 -0.019211 0.003543 0.015668 13.195451 14.000370 4.431088 -2.341593 10.668453 -6.845531 14.917531 -0.000162 114 C 3.432779 7.806073 12.566280 0.599184 23.200985 0.24778016E+03 0.51113321E+04 7.544611 5.583978 -0.032067 2.050284 0.999581 22.053529 61.321417 0.629197 0.471902 -1.021373 0.019616 0.021120 -0.038740 0.048287 -0.052071 -0.009369 0.081096 -0.071485 -0.043204 -0.083558 -0.032869 0.116427 9.328766 9.923436 3.406263 -2.200222 8.021046 -4.200947 10.041815 0.000513 115 C 6.880360 8.354151 0.639995 0.066034 27.796713 0.33422486E+03 0.73815522E+04 8.054293 6.164289 0.021083 2.014738 0.999624 26.480002 74.568919 0.650487 0.426342 -1.054531 0.007214 0.034116 -0.007543 0.035677 -0.035589 0.062727 0.028688 0.006341 0.066370 -0.086352 0.014735 0.071617 9.219703 7.886041 0.557711 -2.763945 13.720214 -0.611072 6.052853 0.000018 116 C 5.794412 8.309506 1.467547 -0.052711 39.092673 0.42645246E+03 0.98713488E+04 9.905845 6.782431 0.149598 2.053827 0.999405 26.904770 74.108727 0.654137 0.404512 -1.083496 -0.001505 0.028464 0.002057 0.028578 -0.005084 0.011534 0.001510 0.004896 -0.017560 -0.014180 0.000606 0.013574 13.150856 9.124260 1.853519 -3.042775 23.109055 -2.324637 7.219252 0.000337 117 C 5.223852 7.005328 1.966052 0.589039 24.067108 0.25578939E+03 0.53138726E+04 7.718835 5.665284 -0.007660 2.056203 0.999667 22.197621 61.757172 0.626593 0.470535 -1.023039 -0.017323 -0.041275 0.020470 0.049221 -0.005003 0.058079 0.042029 0.038766 0.271741 -0.084062 -0.037932 0.121994 9.637626 7.709824 1.467570 -1.598998 15.877884 -2.426323 5.325171 0.000108 118 C 1.419671 -5.532072 15.488212 0.081570 28.809532 0.33588525E+03 0.74238919E+04 8.277519 6.193868 0.034824 2.025291 0.999590 26.177106 73.629784 0.646995 0.428316 -1.053815 -0.016811 -0.014095 -0.047569 0.052384 0.014789 -0.030814 -0.036941 -0.094383 0.020650 -0.064039 -0.009449 0.073488 9.917415 13.204878 -1.176455 3.440759 6.166245 2.238433 10.381122 0.000587 119 C 2.770714 -5.762892 15.687285 -0.052290 39.833531 0.42002143E+03 0.96694434E+04 9.966382 6.702057 0.193660 2.070195 0.999366 26.629965 72.753039 0.663437 0.401029 -1.087657 0.007124 -0.010586 -0.024325 0.027468 -0.008043 -0.009900 -0.003396 -0.005303 -0.031557 -0.017722 0.003503 0.014219 13.175973 13.976967 -0.187600 4.998733 7.915694 5.255797 17.635259 0.000109 120 C 3.432779 4.211746 0.477117 0.595452 23.286919 0.24875968E+03 0.51361213E+04 7.561371 5.593654 -0.030556 2.050096 0.999578 22.092175 61.437513 0.628939 0.471675 -1.021592 0.019980 0.022514 0.038427 0.048813 0.035643 -0.038695 -0.064556 -0.099465 -0.119622 -0.080541 -0.035465 0.116005 9.354235 9.945673 0.205349 4.066458 5.910631 2.988240 12.206402 0.000082 121 C 11.901017 3.153585 9.147489 -0.077217 35.214630 0.42267310E+03 0.98982594E+04 9.506068 6.949830 -0.047484 1.966225 0.999511 28.964650 83.961437 0.610347 0.428524 -1.053298 0.010106 0.005918 -0.003417 0.012200 -0.021119 0.012217 -0.041870 -0.029850 -0.066767 -0.046439 -0.013183 0.059622 12.075481 8.097203 1.456784 -0.841251 9.965791 7.098234 18.163451 -0.000001 122 C 11.901017 -3.153585 9.147489 -0.077095 35.212200 0.42263568E+03 0.98972915E+04 9.506021 6.949749 -0.047543 1.966268 0.999511 28.962901 83.959509 0.610313 0.428552 -1.053268 0.010084 -0.005962 -0.003446 0.012210 0.021167 0.012224 0.041863 -0.029906 -0.066781 -0.046429 -0.013234 0.059663 12.075660 8.097642 -1.456954 -0.841092 9.966327 -7.098621 18.163011 -0.000003 123 C 11.901017 0.000000 14.609658 -0.077213 35.213449 0.42265842E+03 0.98977889E+04 9.505771 6.949657 -0.047394 1.966260 0.999512 28.963918 83.957654 0.610364 0.428517 -1.053307 0.010098 0.000003 0.006831 0.012191 0.000017 -0.024413 -0.000018 0.042658 0.150801 -0.046463 -0.013196 0.059658 12.075055 8.096847 -0.000220 1.682107 22.260555 -0.000613 5.867762 -0.001967 124 C 5.172717 6.345165 7.304829 -0.077647 35.237315 0.42295615E+03 0.99067020E+04 9.511359 6.953046 -0.048392 1.965936 0.999512 28.970929 83.991655 0.610079 0.428633 -1.053215 0.010081 -0.005390 0.003984 0.012106 0.021461 -0.012905 -0.042521 -0.030329 -0.068615 -0.047334 -0.013441 0.060775 12.084011 8.100895 -1.456256 0.843097 9.972152 7.105206 18.178987 -0.000973 125 C 5.172717 12.652335 7.304829 -0.077135 35.212883 0.42265468E+03 0.98978177E+04 9.506014 6.949858 -0.047496 1.966273 0.999511 28.963519 83.960817 0.610316 0.428546 -1.053275 0.010057 0.005993 0.003464 0.012209 -0.021143 -0.012211 0.041843 -0.029868 -0.066777 -0.046416 -0.013204 0.059620 12.075100 8.097505 1.456945 0.841109 9.965986 -7.097865 18.161811 0.000008 126 C 5.172717 9.498750 1.842660 -0.077652 35.236665 0.42294922E+03 0.99064641E+04 9.511128 6.952915 -0.048346 1.965948 0.999512 28.970751 83.989857 0.610097 0.428624 -1.053224 0.010084 0.000752 -0.006655 0.012105 -0.000442 0.025043 0.000159 0.043605 0.153178 -0.047338 -0.013443 0.060781 12.083676 8.100666 0.002068 -1.682644 22.279931 -0.001098 5.870432 0.000989 127 C 10.187992 9.498750 12.971008 -0.068647 32.809212 0.40592330E+03 0.93785389E+04 8.967681 6.772650 -0.051039 1.965479 0.999428 28.407623 80.891696 0.625620 0.423745 -1.059844 -0.006494 -0.000004 -0.001418 0.006647 -0.000004 -0.012156 0.000007 0.048302 0.177127 -0.053672 -0.007588 0.061260 10.638985 9.677181 -0.000069 1.168124 17.403267 0.000305 4.836507 0.001978 128 C 10.187992 15.982597 1.740655 -0.068666 32.811875 0.40595641E+03 0.93795424E+04 8.968256 6.772979 -0.051228 1.965403 0.999428 28.409163 80.898433 0.625594 0.423752 -1.059835 -0.006504 -0.001232 0.000702 0.006657 -0.010523 0.006071 -0.048784 -0.036228 -0.076479 -0.053653 -0.007583 0.061236 10.639781 9.677959 1.011675 -0.584221 7.978989 5.442180 14.262395 -0.000513 129 C 10.187992 3.014903 1.740655 -0.069147 32.838306 0.40632393E+03 0.93903740E+04 8.973190 6.776175 -0.052038 1.964936 0.999427 28.424352 80.957864 0.625414 0.423768 -1.059800 -0.006591 0.001403 0.000806 0.006787 0.010483 0.006051 0.048616 -0.035681 -0.076598 -0.053601 -0.007295 0.060896 10.645768 9.684832 -1.012317 -0.584503 7.982525 -5.445050 14.269948 -0.000005 130 C 3.459692 -0.000000 3.481310 -0.069464 32.842484 0.40637105E+03 0.93916369E+04 8.974383 6.776840 -0.051604 1.965134 0.999430 28.423358 80.953008 0.625352 0.423802 -1.059790 -0.006440 -0.000695 0.001521 0.006653 -0.000349 0.012238 0.000004 0.049129 0.179544 -0.054491 -0.007578 0.062069 10.648366 9.683712 -0.000299 -1.169042 17.421798 -0.000296 4.839588 -0.001235 131 C 3.459692 -6.483847 14.711663 -0.069478 32.843587 0.40638514E+03 0.93920602E+04 8.974615 6.776976 -0.051649 1.965113 0.999430 28.423969 80.955626 0.625342 0.423804 -1.059786 -0.006442 0.000965 -0.001361 0.006655 0.010415 -0.006418 -0.049500 -0.036616 -0.077725 -0.054487 -0.007569 0.062056 10.648689 9.683942 -1.012584 0.584300 7.985108 5.448322 14.277016 0.001249 132 C 3.459692 6.483847 14.711663 -0.068716 32.813864 0.40598798E+03 0.93804507E+04 8.968530 6.773192 -0.051313 1.965354 0.999428 28.410438 80.902737 0.625591 0.423745 -1.059839 -0.006496 -0.001284 -0.000741 0.006663 -0.010478 -0.006052 0.048765 -0.036159 -0.076468 -0.053643 -0.007536 0.061179 10.640004 9.678292 1.011815 0.584212 7.978903 -5.441989 14.262817 0.000527 133 N 0.691669 4.562725 8.333922 -0.255751 36.059977 0.47001382E+03 0.11022164E+05 8.915708 6.875677 0.301794 2.087429 0.999782 28.235417 75.443574 0.692466 0.377182 -1.115146 -0.212862 -0.148251 0.085489 0.273125 -0.136591 0.078809 0.107976 -0.128235 0.378145 -0.255267 0.066948 0.188319 10.304824 7.664199 1.857962 -1.074025 8.914429 4.692399 14.335845 0.000052 134 N 0.691669 -4.562725 8.333922 -0.255922 36.070885 0.47018030E+03 0.11027107E+05 8.917450 6.876932 0.301241 2.087177 0.999782 28.240335 75.461673 0.692393 0.377187 -1.115137 -0.212823 0.148375 0.085666 0.273217 0.136660 0.078902 -0.108116 -0.128055 0.377725 -0.255344 0.067013 0.188331 10.306871 7.666060 -1.859058 -1.073325 8.917291 -4.693849 14.337262 0.000053 135 N 0.691669 0.000000 16.236793 -0.255497 36.046219 0.46980127E+03 0.11015847E+05 8.913327 6.874005 0.302208 2.087637 0.999782 28.229732 75.421881 0.692573 0.377170 -1.115164 -0.212734 -0.000091 -0.171026 0.272957 -0.000045 -0.157511 -0.000122 -0.315274 -0.183464 -0.255028 0.066814 0.188215 10.301965 7.662048 -0.001152 2.145287 17.039404 -0.001348 6.204443 0.007079 136 N 7.419969 4.936025 8.118396 -0.253137 35.914547 0.46776795E+03 0.10955542E+05 8.890960 6.858368 0.306186 2.089719 0.999782 28.173691 75.212207 0.693522 0.377088 -1.115300 -0.211663 0.147482 -0.085105 0.271652 0.135479 -0.077994 0.107552 -0.127566 0.376634 -0.253502 0.065948 0.187554 10.275016 7.642329 -1.851312 1.069620 8.889746 4.678210 14.292973 0.003484 137 N 7.419969 14.061475 8.118396 -0.255756 36.059166 0.47001112E+03 0.11022075E+05 8.915456 6.875641 0.301709 2.087400 0.999782 28.235480 75.443430 0.692471 0.377181 -1.115149 -0.212725 -0.148344 -0.085650 0.273119 -0.136596 -0.078866 -0.108118 -0.127955 0.377629 -0.255246 0.066946 0.188300 10.304234 7.664262 1.858477 1.072990 8.915049 -4.692438 14.333391 0.000018 138 N 7.419969 9.498750 0.215525 -0.253133 35.913213 0.46774864E+03 0.10954953E+05 8.890649 6.858158 0.306201 2.089723 0.999782 28.173465 75.210613 0.693545 0.377080 -1.115308 -0.211665 0.000041 0.170283 0.271658 0.000198 0.156330 -0.000152 -0.314111 -0.183007 -0.253507 0.065950 0.187557 10.274635 7.642034 0.000667 -2.137983 16.992973 -0.000571 6.188897 -0.003454 139 N 7.461685 9.498750 12.389583 -0.217863 39.413648 0.48318735E+03 0.11420449E+05 9.647202 7.079430 0.164481 2.088821 0.998662 27.019546 72.702863 0.666233 0.388967 -1.105558 0.155557 0.000007 0.017558 0.156545 0.000001 -0.010683 -0.000009 -0.171578 0.084266 -0.100720 0.028975 0.071745 12.038565 15.507307 -0.000448 3.418592 14.103859 -0.000020 6.504528 -0.001812 140 N 7.461685 15.479068 2.031368 -0.217982 39.419755 0.48326767E+03 0.11422884E+05 9.648314 7.080102 0.164389 2.088764 0.998662 27.021757 72.711830 0.666186 0.388976 -1.105545 0.155601 0.015199 -0.008786 0.156588 -0.009249 0.005354 0.018892 -0.138930 0.182601 -0.100784 0.029015 0.071769 12.040176 15.509937 2.960947 -1.710036 8.405264 3.290889 12.205326 -0.000379 141 N 7.461685 3.518432 2.031368 -0.215622 39.359559 0.48225181E+03 0.11393075E+05 9.638799 7.071889 0.163883 2.089047 0.998667 26.993156 72.620509 0.666670 0.388891 -1.105586 0.155233 -0.015069 -0.008701 0.156206 0.009113 0.005262 -0.018992 -0.138494 0.182355 -0.100502 0.028752 0.071750 12.029697 15.502839 -2.959714 -1.708811 8.395147 -3.287368 12.191104 0.000020 142 N 0.733385 0.000000 4.062735 -0.216865 39.372646 0.48259478E+03 0.11402828E+05 9.640982 7.075317 0.164355 2.089073 0.998661 27.001778 72.641132 0.666401 0.388992 -1.105551 0.155228 0.000010 -0.017472 0.156208 0.000087 0.010723 -0.000070 -0.171404 0.083761 -0.100557 0.028815 0.071742 12.030541 15.493942 0.001680 -3.414844 14.097708 -0.000735 6.499973 0.000873 143 N 0.733385 -5.980318 14.420950 -0.216836 39.371904 0.48258102E+03 0.11402433E+05 9.640907 7.075236 0.164416 2.089103 0.998661 27.001316 72.639884 0.666401 0.388994 -1.105549 0.155219 -0.015116 0.008741 0.156198 0.009323 -0.005284 0.018942 -0.138478 0.182542 -0.100557 0.028813 0.071744 12.030493 15.493939 -2.956522 1.708905 8.398697 3.289499 12.198842 -0.000881 144 N 0.733385 5.980318 14.420950 -0.217862 39.416389 0.48321900E+03 0.11421456E+05 9.647911 7.079838 0.164095 2.088702 0.998661 27.020016 72.706457 0.666185 0.388986 -1.105537 0.155589 0.015117 0.008747 0.156566 -0.009271 -0.005367 -0.018906 -0.138960 0.182616 -0.100806 0.029018 0.071788 12.039636 15.509324 2.961047 1.709576 8.404938 -3.290593 12.204646 0.000390 145 O 10.797576 3.853643 11.610401 -0.517256 30.634101 0.47769810E+03 0.11159025E+05 7.771919 6.748765 0.437173 2.186925 0.999241 27.105767 70.436468 0.733343 0.357541 -1.139154 0.020875 0.004830 -0.005907 0.022226 -0.014554 -0.032258 -0.038393 0.004585 -0.132075 -0.074698 0.036708 0.037991 8.484259 9.261734 0.297627 -3.166758 5.712041 0.721521 10.479003 0.057527 146 O 12.685537 4.908004 12.192813 -0.527381 37.291838 0.53562480E+03 0.12870022E+05 8.919022 7.163198 0.248028 2.121227 0.998672 27.613580 72.675915 0.709583 0.359240 -1.138279 -0.012281 -0.008297 -0.002088 0.014967 -0.016817 0.055035 0.009346 -0.087530 0.014112 -0.084259 0.039619 0.044640 10.753897 7.670744 1.488517 1.739982 8.014849 4.805744 16.576098 -0.053456 147 O 9.450570 5.957616 12.839389 -0.547625 32.596446 0.51292960E+03 0.12184111E+05 8.084872 6.979543 0.400116 2.165742 0.999272 27.622855 72.131442 0.724007 0.356146 -1.141484 0.013236 0.014465 -0.007688 0.021060 0.039485 -0.032637 0.014259 -0.068642 0.092186 -0.079216 0.036899 0.042317 8.986923 7.115871 -0.647074 0.798232 13.821142 -0.448741 6.023756 0.049171 148 O 11.349296 6.991080 13.418511 -0.507634 33.372069 0.48447064E+03 0.11345250E+05 8.234553 6.778881 0.368121 2.170456 0.998901 26.879082 69.695108 0.735325 0.355697 -1.141822 -0.007854 -0.009900 -0.013438 0.018447 -0.026808 -0.002948 -0.004236 0.090362 0.116101 -0.072099 0.032708 0.039391 9.735220 13.398440 -4.261462 2.373339 9.650082 -1.436969 6.157137 -0.049029 149 O 10.797576 -1.370670 7.309765 -0.517162 30.633554 0.47768062E+03 0.11158568E+05 7.772204 6.748940 0.437657 2.187150 0.999241 27.103286 70.430974 0.733281 0.357573 -1.139123 0.020764 -0.007556 -0.001239 0.022131 -0.020648 0.028730 0.046810 0.019165 -0.088535 -0.074722 0.036723 0.037999 8.484693 9.262121 -2.891390 1.325803 8.662888 -2.425328 7.529070 -0.057070 150 O 12.685537 -1.393467 6.105455 -0.527634 37.297874 0.53573930E+03 0.12873405E+05 8.919713 7.163761 0.248292 2.121240 0.998672 27.617441 72.686845 0.709588 0.359220 -1.138300 -0.012325 0.002268 0.008310 0.015036 0.056086 -0.012944 0.011241 -0.051912 0.120951 -0.084269 0.039608 0.044661 10.754851 7.671458 0.762694 -2.159172 10.275061 -6.110741 14.318034 0.053563 151 O 9.450570 -1.358321 4.873177 -0.547406 32.585405 0.51271784E+03 0.12177762E+05 8.083003 6.978084 0.400816 2.166066 0.999272 27.617256 72.111734 0.724089 0.356144 -1.141491 0.013161 -0.013884 -0.008624 0.020984 -0.047969 -0.017902 -0.012231 -0.065110 0.102773 -0.079195 0.036907 0.042288 8.984575 7.113966 1.014147 0.160559 8.359913 3.599298 11.479847 -0.048685 152 O 11.349296 -1.373519 3.688610 -0.507807 33.375177 0.48453749E+03 0.11347172E+05 8.234890 6.779230 0.368405 2.170504 0.998901 26.881532 69.701850 0.735328 0.355684 -1.141836 -0.007953 -0.006713 0.015235 0.018451 0.010858 0.024689 -0.042597 0.009261 -0.127113 -0.072098 0.032699 0.039400 9.735584 13.398503 4.186329 2.503784 8.275765 2.231143 7.532485 0.049158 153 O 10.797576 -2.482973 13.984470 -0.517200 30.626955 0.47757237E+03 0.11155253E+05 7.770354 6.747621 0.437518 2.187046 0.999242 27.103930 70.426982 0.733453 0.357514 -1.139186 0.020835 0.002697 0.007177 0.022201 0.035208 0.003540 -0.008391 0.085645 0.111090 -0.074694 0.036691 0.038002 8.482210 9.260088 2.592689 1.840652 9.908744 1.702350 6.277799 0.057540 154 O 12.685537 -3.514537 14.606368 -0.527525 37.289040 0.53560450E+03 0.12869373E+05 8.918426 7.163041 0.248764 2.121479 0.998672 27.613391 72.674258 0.709596 0.359238 -1.138284 -0.012289 0.005987 -0.005991 0.014925 -0.039311 -0.042039 -0.020594 -0.068035 0.072757 -0.084289 0.039588 0.044701 10.752413 7.670836 -2.250894 0.419562 18.593265 1.303115 5.993139 -0.053569 155 O 9.450570 -4.599295 15.192070 -0.547545 32.596376 0.51290586E+03 0.12183393E+05 8.084987 6.979412 0.400251 2.165809 0.999272 27.621653 72.127610 0.724010 0.356149 -1.141483 0.013101 -0.000596 0.016529 0.021099 0.008511 0.050408 -0.002037 -0.089702 0.028822 -0.079088 0.036858 0.042230 8.987445 7.115955 -0.367100 -0.960570 7.584114 -3.152647 12.262266 0.049108 156 O 11.349296 -5.617561 15.797516 -0.507715 33.371731 0.48443379E+03 0.11344115E+05 8.234581 6.778532 0.368686 2.170675 0.998899 26.878102 69.690590 0.735363 0.355687 -1.141836 -0.007884 0.016607 -0.001617 0.018454 0.015966 -0.021696 0.046788 0.016713 -0.104735 -0.071997 0.032675 0.039322 9.736033 13.400563 0.075862 -4.878275 5.785480 -0.793981 10.022054 -0.049038 157 O 4.069276 5.645107 4.841917 -0.511027 30.494716 0.47464724E+03 0.11068913E+05 7.745089 6.723798 0.442343 2.190257 0.999222 27.015519 70.119554 0.735330 0.357182 -1.139553 0.019139 -0.005455 0.002533 0.020062 0.014465 0.033824 -0.038993 0.006205 -0.132637 -0.076134 0.036582 0.039552 8.456345 9.229574 -0.296329 3.160107 5.689879 0.721490 10.449581 0.000034 158 O 5.957237 4.590746 4.259505 -0.520304 37.040989 0.53145449E+03 0.12744377E+05 8.876030 7.133152 0.251624 2.123955 0.998643 27.518904 72.345075 0.711419 0.359028 -1.138493 -0.014246 0.008248 -0.000522 0.016469 0.016444 -0.054409 0.010532 -0.087014 0.021343 -0.083834 0.040766 0.043068 10.695544 7.637369 -1.482991 -1.730853 7.974311 4.774634 16.474951 -0.000014 159 O 2.722270 3.541134 3.612929 -0.541520 32.464408 0.50988825E+03 0.12092609E+05 8.059706 6.955077 0.404135 2.168552 0.999256 27.534683 71.819501 0.725940 0.355763 -1.141910 0.014464 -0.011304 0.006987 0.019642 -0.039614 0.033753 0.015487 -0.070989 0.087676 -0.080383 0.038538 0.041845 8.961227 7.093242 0.648598 -0.797661 13.788687 -0.452090 6.001753 -0.000033 160 O 4.620996 2.507670 3.033807 -0.501167 33.178396 0.48114018E+03 0.11247329E+05 8.199734 6.753427 0.371481 2.172914 0.998879 26.796777 69.409853 0.737090 0.355474 -1.142053 -0.007593 0.012792 0.013166 0.019865 0.028548 0.002260 -0.003442 0.089016 0.109892 -0.071336 0.034036 0.037300 9.689808 13.335928 4.233748 -2.362133 9.602332 -1.428787 6.131163 0.000168 161 O 4.069276 10.869420 9.142553 -0.517130 30.625911 0.47755166E+03 0.11154710E+05 7.770525 6.747784 0.437857 2.187222 0.999241 27.101975 70.422988 0.733390 0.357547 -1.139153 0.020764 0.007651 0.001195 0.022161 0.020665 -0.028687 0.046767 0.019180 -0.088488 -0.074666 0.036676 0.037990 8.482331 9.260237 2.890247 -1.324652 8.659936 -2.423430 7.526819 0.057673 162 O 5.957237 10.892217 10.346863 -0.527446 37.291756 0.53562109E+03 0.12869866E+05 8.918846 7.163051 0.248029 2.121209 0.998672 27.614291 72.676780 0.709611 0.359228 -1.138293 -0.012228 -0.002266 -0.008215 0.014905 -0.056092 0.012965 0.011232 -0.051903 0.120946 -0.084275 0.039631 0.044644 10.753427 7.670696 -0.762923 2.159633 10.272796 -6.109295 14.316788 -0.053475 163 O 2.722270 10.857071 11.579141 -0.547410 32.579101 0.51260344E+03 0.12174272E+05 8.081729 6.977117 0.400999 2.166125 0.999273 27.616291 72.105124 0.724174 0.356124 -1.141515 0.013172 0.013957 0.008577 0.021021 0.047974 0.017964 -0.012227 -0.065103 0.102730 -0.079211 0.036944 0.042267 8.983261 7.113034 -1.013522 -0.159740 8.358066 3.598619 11.478682 0.049214 164 O 4.620996 10.872269 12.763708 -0.507533 33.359753 0.48426800E+03 0.11339175E+05 8.232173 6.777216 0.368816 2.170750 0.998901 26.874793 69.677015 0.735465 0.355671 -1.141858 -0.007789 0.006728 -0.015242 0.018392 -0.010846 -0.024642 -0.042578 0.009271 -0.127127 -0.072063 0.032689 0.039374 9.731969 13.393152 -4.184195 -2.502526 8.272356 2.230303 7.530399 -0.049063 165 O 4.069276 11.981723 2.467848 -0.516935 30.608985 0.47725682E+03 0.11145943E+05 7.767179 6.745387 0.438902 2.187648 0.999243 27.096124 70.398575 0.733582 0.357514 -1.139196 0.020711 -0.002732 -0.007141 0.022078 -0.035122 -0.003546 -0.008445 0.085752 0.110992 -0.074673 0.036693 0.037980 8.478299 9.255365 -2.589706 -1.839180 9.904622 1.701031 6.274911 -0.057274 166 O 5.957237 13.013288 1.845950 -0.527357 37.282978 0.53549662E+03 0.12866084E+05 8.917347 7.162159 0.248297 2.121315 0.998674 27.612089 72.667960 0.709666 0.359222 -1.138301 -0.012307 -0.005794 0.006184 0.014943 0.039364 0.042165 -0.020631 -0.068122 0.072526 -0.084422 0.039699 0.044723 10.751401 7.670015 2.252395 -0.419034 18.592167 1.302485 5.992022 0.053650 167 O 2.722270 14.098045 1.260248 -0.547499 32.585666 0.51272592E+03 0.12177960E+05 8.082846 6.977985 0.400703 2.165988 0.999272 27.619217 72.116057 0.724120 0.356128 -1.141508 0.013110 0.000508 -0.016470 0.021057 -0.008425 -0.050473 -0.002032 -0.089747 0.028679 -0.079143 0.036914 0.042229 8.984334 7.114054 0.368446 0.958175 7.582836 -3.150706 12.256112 -0.048923 168 O 4.620996 15.116311 0.654802 -0.507709 33.376035 0.48452417E+03 0.11346845E+05 8.235300 6.779303 0.367781 2.170329 0.998899 26.880379 69.700090 0.735293 0.355702 -1.141816 -0.007827 -0.016555 0.001817 0.018402 -0.015927 0.021768 0.046822 0.016655 -0.105194 -0.072114 0.032755 0.039360 9.736198 13.400020 -0.075129 4.877992 5.786252 -0.793895 10.022322 0.049112 169 O 10.797576 -3.853643 11.610401 -0.517180 30.634199 0.47769909E+03 0.11159097E+05 7.772225 6.749017 0.437571 2.187107 0.999241 27.104336 70.433794 0.733286 0.357567 -1.139129 0.020790 -0.004853 -0.005956 0.022164 0.014554 -0.032236 0.038425 0.004636 -0.132135 -0.074720 0.036722 0.037998 8.484645 9.262129 -0.297558 -3.166752 5.712180 -0.721694 10.479625 0.057430 170 O 12.685537 -4.908004 12.192813 -0.527657 37.299243 0.53575731E+03 0.12873979E+05 8.920045 7.163957 0.248265 2.121230 0.998672 27.617521 72.688063 0.709565 0.359227 -1.138291 -0.012327 0.008325 -0.002153 0.015029 0.016838 0.055050 -0.009330 -0.087547 0.014087 -0.084280 0.039614 0.044666 10.755340 7.671673 -1.488596 1.740182 8.015535 -4.806330 16.578811 -0.053331 171 O 9.450570 -5.957616 12.839389 -0.547471 32.586247 0.51274416E+03 0.12178528E+05 8.083031 6.978203 0.400785 2.166035 0.999272 27.618543 72.115221 0.724093 0.356138 -1.141497 0.013160 -0.014444 -0.007718 0.021009 -0.039508 -0.032606 -0.014278 -0.068626 0.092249 -0.079222 0.036905 0.042317 8.984493 7.114082 0.646010 0.798004 13.816505 0.448577 6.022893 0.049124 172 O 11.349296 -6.991080 13.418511 -0.507798 33.374436 0.48452384E+03 0.11346784E+05 8.234813 6.779167 0.368439 2.170520 0.998901 26.881062 69.700651 0.735326 0.355688 -1.141832 -0.007929 0.009869 -0.013424 0.018452 0.026812 -0.002941 0.004224 0.090335 0.116117 -0.072091 0.032700 0.039392 9.735463 13.398381 4.261405 2.373557 9.650318 1.437384 6.157689 -0.048969 173 O 10.797576 1.370670 7.309765 -0.517212 30.628333 0.47759013E+03 0.11155804E+05 7.770757 6.747858 0.437474 2.187043 0.999242 27.103492 70.426936 0.733420 0.357526 -1.139173 0.020805 0.007544 -0.001262 0.022167 0.020676 0.028731 -0.046797 0.019141 -0.088481 -0.074712 0.036702 0.038010 8.482794 9.260591 2.890781 1.325335 8.660534 2.423851 7.527256 -0.057129 174 O 12.685537 1.393467 6.105455 -0.527414 37.285799 0.53555063E+03 0.12867717E+05 8.917818 7.162609 0.248808 2.121510 0.998672 27.612330 72.669726 0.709630 0.359231 -1.138293 -0.012286 -0.002160 0.008208 0.014933 -0.056020 -0.013012 -0.011302 -0.051940 0.120880 -0.084229 0.039564 0.044665 10.751645 7.670362 -0.762039 -2.158966 10.270982 6.107074 14.313589 0.053616 175 O 9.450570 1.358321 4.873177 -0.547511 32.595679 0.51288564E+03 0.12182805E+05 8.084963 6.979330 0.400334 2.165854 0.999272 27.620557 72.124670 0.724004 0.356154 -1.141477 0.013101 0.013995 -0.008744 0.021070 0.047907 -0.017835 0.012152 -0.065121 0.102628 -0.079091 0.036869 0.042223 8.987483 7.115863 -1.015475 0.162460 8.362536 -3.602166 11.484051 -0.048801 176 O 11.349296 1.373519 3.688610 -0.507684 33.369689 0.48440286E+03 0.11343175E+05 8.234123 6.778234 0.368792 2.170716 0.998899 26.877719 69.688252 0.735395 0.355679 -1.141846 -0.007906 0.006921 0.015164 0.018448 -0.010802 0.024665 0.042448 0.009201 -0.127240 -0.071983 0.032666 0.039317 9.735391 13.399654 -4.186385 2.504517 8.274774 -2.231235 7.531746 0.049234 177 O 10.797576 2.482973 13.984470 -0.517218 30.631857 0.47765777E+03 0.11157825E+05 7.771460 6.748424 0.437302 2.186973 0.999241 27.105042 70.433315 0.733372 0.357535 -1.139161 0.020882 -0.002691 0.007132 0.022230 -0.035213 0.003527 0.008404 0.085602 0.111061 -0.074676 0.036696 0.037981 8.483681 9.261182 -2.593348 1.840999 9.911258 -1.703184 6.278602 0.057608 178 O 12.685537 3.514538 14.606368 -0.527483 37.294190 0.53566922E+03 0.12871362E+05 8.919371 7.163489 0.248028 2.121208 0.998672 27.614768 72.679934 0.709569 0.359239 -1.138279 -0.012283 -0.005949 -0.006140 0.014965 0.039287 -0.042109 0.020587 -0.068108 0.072509 -0.084315 0.039638 0.044678 10.754270 7.671064 2.251196 0.419135 18.598256 -1.304200 5.993490 -0.053624 179 O 9.450570 4.599295 15.192070 -0.547598 32.596558 0.51292867E+03 0.12184084E+05 8.084901 6.979532 0.400071 2.165726 0.999272 27.622806 72.131331 0.724008 0.356145 -1.141484 0.013237 0.000582 0.016378 0.021067 -0.008524 0.050487 0.002038 -0.089792 0.028678 -0.079184 0.036889 0.042296 8.987003 7.115891 0.367752 -0.959511 7.584478 3.152090 12.260641 0.049090 180 O 11.349296 5.617561 15.797516 -0.507723 33.376450 0.48454287E+03 0.11347395E+05 8.235363 6.779445 0.367926 2.170371 0.998900 26.880603 69.701053 0.735283 0.355703 -1.141814 -0.007858 -0.016601 -0.001856 0.018460 -0.015964 -0.021755 -0.046847 0.016614 -0.105250 -0.072145 0.032729 0.039416 9.736339 13.399972 -0.075504 -4.878030 5.786430 0.794228 10.022615 -0.048881 181 O 4.069276 13.352393 4.841917 -0.517138 30.627393 0.47758269E+03 0.11155624E+05 7.770771 6.748010 0.437759 2.187181 0.999241 27.102876 70.426094 0.733376 0.357548 -1.139152 0.020775 0.004857 0.006049 0.022176 -0.014512 0.032236 0.038395 0.004663 -0.132065 -0.074676 0.036681 0.037995 8.482581 9.260491 0.297959 3.165386 5.711535 -0.721114 10.475718 -0.057331 182 O 5.957237 14.406754 4.259505 -0.527360 37.289829 0.53558290E+03 0.12868739E+05 8.918632 7.162856 0.247956 2.121206 0.998672 27.613045 72.673297 0.709610 0.359234 -1.138286 -0.012239 -0.008239 0.002108 0.014904 -0.016813 -0.055043 -0.009343 -0.087505 0.014166 -0.084257 0.039638 0.044619 10.753192 7.670509 1.488833 -1.740563 8.014819 -4.805694 16.574249 0.053712 183 O 2.722270 15.456366 3.612929 -0.547412 32.579545 0.51261677E+03 0.12174664E+05 8.081755 6.977187 0.400951 2.166102 0.999273 27.616870 72.106779 0.724174 0.356122 -1.141517 0.013173 0.014428 0.007800 0.021036 0.039551 0.032572 -0.014264 -0.068611 0.092204 -0.079220 0.036938 0.042282 8.983235 7.113151 -0.645077 -0.797889 13.814790 0.447997 6.021764 -0.048952 184 O 4.620996 16.489830 3.033807 -0.507461 33.358900 0.48425050E+03 0.11338686E+05 8.232124 6.777161 0.368718 2.170733 0.998901 26.873967 69.675081 0.735456 0.355678 -1.141850 -0.007771 -0.009877 0.013438 0.018399 -0.026778 0.002925 0.004238 0.090330 0.116039 -0.072060 0.032700 0.039359 9.731927 13.393175 -4.259337 -2.372388 9.647258 1.436431 6.155348 0.049252 185 O 4.069276 8.128080 9.142553 -0.516933 30.608672 0.47724683E+03 0.11145658E+05 7.767188 6.745353 0.438967 2.187679 0.999243 27.095495 70.396914 0.733577 0.357518 -1.139192 0.020696 -0.007538 0.001212 0.022059 -0.020639 -0.028645 -0.046806 0.019286 -0.088400 -0.074665 0.036688 0.037977 8.478361 9.255426 -2.887722 -1.323251 8.655582 2.422310 7.524076 0.057582 186 O 5.957237 8.105283 10.346863 -0.527435 37.285133 0.53553665E+03 0.12867272E+05 8.917627 7.162383 0.248336 2.121309 0.998674 27.613275 72.671453 0.709662 0.359217 -1.138306 -0.012292 0.002428 -0.008142 0.014943 0.056206 0.013011 -0.011287 -0.051893 0.121172 -0.084429 0.039691 0.044738 10.751755 7.670250 0.763283 2.160161 10.270454 6.107507 14.314562 -0.053427 187 O 2.722270 8.140429 11.579141 -0.547481 32.584222 0.51269485E+03 0.12177036E+05 8.082648 6.977797 0.400809 2.166038 0.999272 27.618207 72.112852 0.724127 0.356130 -1.141506 0.013111 -0.013995 0.008652 0.021039 -0.047920 0.017945 0.012199 -0.065086 0.102667 -0.079142 0.036922 0.042221 8.984130 7.113790 1.013969 -0.159981 8.359046 -3.598894 11.479553 0.049131 188 O 4.620996 8.125231 12.763708 -0.507724 33.374694 0.48450574E+03 0.11346273E+05 8.234964 6.779096 0.367962 2.170387 0.998899 26.880359 69.698934 0.735319 0.355694 -1.141825 -0.007840 -0.006730 -0.015211 0.018389 0.010871 -0.024663 0.042584 0.009298 -0.127196 -0.072099 0.032731 0.039368 9.735699 13.399237 4.186551 -2.503827 8.275368 -2.231052 7.532493 -0.049048 189 O 4.069276 7.015777 2.467848 -0.511030 30.493841 0.47463178E+03 0.11068449E+05 7.744885 6.723646 0.442370 2.190264 0.999222 27.015384 70.118595 0.735346 0.357178 -1.139558 0.019141 -0.000539 -0.005987 0.020063 0.036525 -0.004382 0.007876 0.087391 0.110923 -0.076138 0.036588 0.039550 8.456094 9.229316 2.588454 -1.836626 9.884136 -1.700182 6.254829 -0.000081 190 O 5.957237 5.984212 1.845950 -0.520299 37.040225 0.53144330E+03 0.12744032E+05 8.875875 7.133056 0.251648 2.123963 0.998643 27.518750 72.344275 0.711427 0.359026 -1.138495 -0.014248 0.003669 0.007407 0.016472 -0.038899 0.041449 0.019485 -0.071507 0.067869 -0.083838 0.040769 0.043069 10.695311 7.637246 -2.240414 -0.418871 18.484259 -1.293504 5.964428 0.000043 191 O 2.722270 4.899455 1.260248 -0.541530 32.465040 0.50989869E+03 0.12092923E+05 8.059824 6.955151 0.404079 2.168530 0.999256 27.534931 71.820437 0.725936 0.355763 -1.141910 0.014461 0.000393 -0.013286 0.019641 0.009425 -0.051180 0.004135 -0.090650 0.028665 -0.080377 0.038538 0.041839 8.961395 7.093327 -0.366468 0.960591 7.557052 3.145910 12.233808 -0.000012 192 O 4.620996 3.881189 0.654802 -0.501175 33.178927 0.48114742E+03 0.11247543E+05 8.199831 6.753476 0.371453 2.172901 0.998879 26.796947 69.410467 0.737087 0.355474 -1.142053 -0.007596 0.017794 0.004493 0.019863 0.016230 0.023596 -0.044781 0.017403 -0.104935 -0.071331 0.034036 0.037295 9.689972 13.336157 0.071235 4.847771 5.761634 0.788699 9.972123 -0.000139 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is -0.000768 The total net atomic charge of the unit cell is 0.000003 Accuracy of reproducing the electrostatic potential in the unit cell: The inner radius (bohr) = 5.0000 The outer radius (bohr) = 12.0000 Valid grid points have density less than (e/(bohr^3)) = 0.0001 The number of valid grid points were= 372246 The rms potential error without charges in kcal/mol is= 3.16568 The rms potential error with partial charges in kcal/mol is= 1.31148 The RRMSE value at monopole order= 0.41428 The rms potential error with partial charges and cloud penetration in kcal/mol is= 1.30902 The RRMSE value at monopole order with cloud penetration is= 0.41350 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.89348 The RRMSE value at dipole order= 0.28224 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.88132 The RRMSE value at dipole order with cloud penetration= 0.27840 ****************************************************** The electron densities and ab initio electrostatic potential were computed in VASP using the PBE functional and projector augmented wave method. See the main text of the journal article for a description of computational details. The atomic charges, dipoles, and quadrupoles were computed with the DDEC6 method as described in (a) T. A. Manz and N. Gabaldon Limas, RSC Adv. 6 (2016) 47771-47801 DOI: 10.1039/c6ra04656h (b) N. Gabaldon Limas and T. A. Manz, RSC Adv. 8 (2018) 2678-2707 DOI: 10.1039/c7ra11829e. For each atom in the material, the electron cloud parameters were fit to the spherically averaged atom-in-material electron density using radial positions for which this density was between 10^-4 and 10^-2 electrons per cubic bohr. The polarizabilities, dispersion coefficients, and quantum Drude oscillator (QDO) parameters were fit using the MCLF method. The magnetic structure of the system was optimized in VASP from the default ferromagnetic initial guess using spin polarization. The atomic spin moments (ASMs) were computed on this optimized magnetic structure using the DDEC6 partition as inputs to the method of T. A. Manz and D. S. Sholl, J. Chem. Theory Comput. 7 (2011) 4146-4164 DOI: 10.1021/ct200539n. The RMSE and RRMSE were computed using a uniform grid with Ewald summation.