254 I:\Sabine\sabine\Plenio\YK1 Br 3.972118 7.935120 7.778212 Ni 6.215517 8.616608 7.013851 O 6.399576 9.964362 8.561884 H 7.148793 9.987274 8.851913 H 5.983188 9.803552 9.232373 O 8.152235 9.186535 6.537989 H 8.463964 9.430833 5.856028 H 8.658000 9.103597 7.175212 O 7.125378 7.145847 8.134201 H 7.819538 7.453908 8.393067 H 6.771038 7.033986 8.857649 O 3.443514 15.304197 6.110879 O 6.945997 2.023200 3.887577 N 5.446560 10.047762 5.648209 N 6.139981 7.430480 5.245380 C 4.933000 11.401409 5.827350 C 5.806784 12.492899 5.865587 C 7.313347 12.462440 5.630429 H 7.675302 11.536666 5.525276 C 7.958181 13.225291 6.769897 C 8.982043 12.769160 7.582438 H 9.308513 11.880738 7.494492 C 9.526961 13.635351 8.534544 H 10.237277 13.340532 9.090896 C 9.034172 14.919695 8.670286 H 9.415108 15.503164 9.318407 C 7.987104 15.370311 7.869217 H 7.645184 16.249632 7.974369 C 7.451567 14.520799 6.915199 C 6.382318 14.858769 5.898089 H 6.018221 15.782705 6.007065 C 5.306871 13.784416 5.989858 C 3.942926 14.019055 6.045302 C 3.075270 12.937741 5.966916 C 1.566467 13.034982 5.768082 H 1.227199 13.976041 5.794849 C 1.303351 12.352066 4.445075 C 0.707987 12.908435 3.334284 H 0.388520 13.803310 3.355315 C 0.579058 12.138095 2.177609 H 0.180878 12.521097 1.403305 C 1.018663 10.836002 2.137460 H 0.908444 10.322291 1.345950 C 1.621871 10.267840 3.252074 H 1.930762 9.370095 3.221485 C 1.773990 11.016703 4.406838 C 2.451709 10.587505 5.706903 H 2.788724 9.646357 5.682049 C 3.565300 11.617173 5.896177 C 7.519842 13.337328 4.378160 C 8.125166 12.951471 3.194719 H 8.446510 12.064123 3.083831 C 8.255696 13.885291 2.171873 H 8.664602 13.628320 1.353597 C 7.795037 15.182100 2.324822 H 7.906603 15.812208 1.623169 C 7.168094 15.561143 3.512087 H 6.834575 16.443692 3.619152 C 7.034558 14.634048 4.533021 C 1.414862 10.824675 6.806223 C 0.898067 9.880398 7.662736 H 1.233094 8.991263 7.660824 C -0.127125 10.249332 8.534544 H -0.496492 9.599802 9.119574 C -0.604778 11.523670 8.565134 H -1.301283 11.752515 9.169282 C -0.078679 12.496061 7.710533 H -0.404916 13.387439 7.735387 C 0.926163 12.139366 6.825341 C 5.488918 9.611398 4.445075 C 5.216900 10.195957 3.122068 C 4.896308 11.443184 2.668957 H 4.760729 12.161254 3.276929 C 4.767849 11.644689 1.271387 H 4.550810 12.510981 0.946371 C 4.953481 10.615157 0.370901 H 4.868418 10.788084 -0.558263 C 5.265317 9.308923 0.808717 C 5.492045 8.165330 0.005736 H 5.407174 8.227821 -0.938723 C 5.831612 6.973934 0.577382 H 5.963079 6.222282 0.013383 C 5.997876 6.809105 1.971128 H 6.254250 5.970705 2.338205 C 5.770452 7.909207 2.781757 C 5.409074 9.139387 2.196727 C 5.865729 8.155141 4.225211 C 6.362694 6.019608 5.012898 C 7.643399 5.538886 4.756708 C 8.914055 6.368066 4.657292 H 8.776522 7.330883 4.892450 C 9.934301 5.676272 5.542483 C 10.643515 6.260753 6.594006 H 10.498571 7.170572 6.827253 C 11.556425 5.495055 7.286100 H 12.053175 5.884873 7.995400 C 11.755852 4.166579 6.959171 H 12.396194 3.659493 7.442872 C 11.039400 3.565645 5.940150 H 11.167418 2.646277 5.733669 C 10.129741 4.329189 5.223202 C 9.286124 3.868050 4.053144 H 9.425288 2.904964 3.823721 C 7.830195 4.197496 4.422133 C 6.762109 3.324721 4.318892 C 5.489641 3.818042 4.554051 C 4.192830 3.056364 4.274920 H 4.347091 2.114662 3.978581 C 3.458340 3.898265 3.231044 C 3.028130 3.488998 1.980687 H 3.141436 2.586127 1.705379 C 2.431220 4.411350 1.131821 H 2.118665 4.129448 0.279132 C 2.283562 5.736018 1.504634 H 1.896677 6.363128 0.902398 C 2.701519 6.140039 2.760726 H 2.597547 7.046676 3.026475 C 3.269889 5.230242 3.624887 C 3.799568 5.521012 5.032016 H 3.650790 6.464463 5.326443 C 5.285860 5.132128 4.940247 C 9.382965 6.159167 3.202366 C 9.562052 7.124781 2.244524 H 9.425665 8.038723 2.460564 C 9.946038 6.760439 0.955930 H 10.070904 7.427002 0.290603 C 10.143478 5.429409 0.648121 H 10.401514 5.183599 -0.231335 C 9.970624 4.446847 1.613610 H 10.114857 3.532993 1.395658 C 9.586182 4.803072 2.898380 C 3.346660 3.154681 5.540571 C 2.802236 2.104083 6.223105 H 2.964596 1.211345 5.943974 C 2.003837 2.362014 7.339632 H 1.617468 1.642486 7.825244 C 1.775464 3.673814 7.739210 H 1.225415 3.847473 8.494395 C 2.347945 4.739970 7.043293 H 2.191612 5.634368 7.322425 C 3.143503 4.479396 5.947797 C 3.159620 15.695001 7.454343 H 4.009041 15.759195 7.960986 H 2.603274 14.997978 7.884512 C 2.462146 16.974005 7.526994 H 2.707077 17.568374 6.773721 H 2.637888 17.439877 8.383507 C 0.999563 16.492575 7.427577 H 0.744884 16.469335 6.471647 H 0.952813 15.565753 7.769800 C 0.042195 17.279342 8.127318 H -0.850442 16.893640 8.003047 H 0.262214 17.287651 9.083248 H 0.054064 18.194730 7.781271 C 6.998385 1.089371 4.970837 H 6.209674 1.209527 5.557778 H 7.813763 1.246516 5.511893 C 7.014845 -0.312877 4.412574 H 7.814589 -0.422048 3.839015 H 6.216307 -0.440386 3.840927 C 7.028583 -1.378248 5.481303 H 7.828409 -1.248991 6.051038 H 6.229272 -1.267419 6.054862 C 7.044492 -2.761484 4.942159 H 7.052645 -3.401768 5.683961 H 6.245351 -2.906658 4.393455 H 7.845032 -2.888319 4.391543 O 13.242483 7.556535 3.156481 C 13.565914 6.757755 3.988141 C 13.371842 5.304100 3.783572 H 13.696093 4.817702 4.569346 H 12.418646 5.116087 3.653565 H 13.872419 5.014354 2.992061 C 14.239013 7.202624 5.257616 H 14.430164 6.419880 5.817791 H 15.078406 7.660764 5.039664 H 13.648092 7.815273 5.743228 O 9.563457 9.995455 4.356556 C 10.753884 10.184687 4.318892 C 11.412990 10.517662 3.018827 H 12.374930 10.640437 3.160305 H 11.266532 9.787753 2.380266 H 11.028947 11.345750 2.659398 C 11.595801 10.061099 5.540571 H 12.530654 10.250839 5.314972 H 11.286375 10.701380 6.215458 H 11.523207 9.151809 5.898089 C 6.254348 2.653364 8.698964 C 7.270165 3.642234 8.236294 H 6.992902 4.543894 8.502043 H 8.137295 3.434121 8.641609 H 7.347855 3.598412 7.259334 C 5.106496 2.908356 9.417824 H 5.026905 3.871527 9.574596 H 4.329144 2.595312 8.911181 H 5.147584 2.438463 10.276249 O 6.423386 1.493036 8.465717 C 6.492272 3.125497 0.497084 H 5.715455 3.671547 0.739890 H 7.187653 3.227814 1.181530 H 6.841202 3.421553 -0.368989 C 6.078698 1.664809 0.407226 H 5.703581 1.388303 1.280946 H 5.359505 1.583611 -0.267660 C 7.181551 0.726241 0.043973 H 7.903542 0.819321 0.713124 H 7.550531 1.002837 -0.831659 C 7.490728 -3.125497 -0.497084 H 8.267545 -3.671547 -0.739890 H 6.795347 -3.227814 -1.181530 H 7.141798 -3.421553 0.368989 C 7.904302 -1.664809 -0.407226 H 8.279419 -1.388303 -1.280946 H 8.623495 -1.583611 0.267660 C 6.801449 -0.726241 -0.043973 H 6.079458 -0.819321 -0.713124 H 6.432469 -1.002837 0.831659 C 13.735607 1.649105 3.894459 H 14.512455 2.241364 3.823721 H 13.136179 1.976151 4.598024 H 14.035184 0.742767 4.118147 C 12.949530 1.622027 2.489242 H 13.495205 1.253549 1.749352 H 12.582597 2.506483 2.236877 C 11.783418 0.570746 3.009268 H 12.154109 -0.132141 3.600033 H 11.042010 1.036908 3.470026 C 11.336452 -0.021740 1.561990 H 11.165938 0.733829 0.944459 H 10.482226 -0.517820 1.669054 C 12.467126 -1.032068 0.889015 H 12.071001 -1.848006 0.493260 H 13.045550 -0.574628 0.225600 C 13.229156 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