md.arc

!BIOSYM archive 2
PBC=ON
                      Energy     16000          3.3316      -2772.241266
!DATE rotcell   0.000000000000000   0.000000000000000   0.000000000000000
PBC   17.69090000   12.83110000   46.07950000   90.00000000   90.00000000   89.56060000
N       17.209870942    9.331579909   35.531714807 CORE    1 N  N    0.0000    1
C       21.892203682    9.489773760   31.939984573 CORE    2 C  C    0.0000    2
H        8.747352529   -2.089273883   40.306576751 CORE    3 H  H    0.0000    3
H       20.457662387    5.994061486   33.212622300 CORE    4 H  H    0.0000    4
H       11.519860792   10.996142500   26.570930485 CORE    5 H  H    0.0000    5
H        9.189216816    7.834517473   21.240344481 CORE    6 H  H    0.0000    6
H        8.071338762   -0.462463348   34.176766562 CORE    7 H  H    0.0000    7
H       13.342473126    3.337959497   32.934765168 CORE    8 H  H    0.0000    8
N        1.598903358   -1.970190535   35.089529866 CORE    9 N  N    0.0000    9
C       -3.116146950    3.525874783   38.179260968 CORE   10 C  C    0.0000   10
H        1.958700672    8.506844284   21.504346048 CORE   11 H  H    0.0000   11
H       -4.209468730    4.398131686   58.287792285 CORE   12 H  H    0.0000   12
H       11.080209434    3.633417104   49.499926478 CORE   13 H  H    0.0000   13
H        9.074888170   16.945770519   59.372805233 CORE   14 H  H    0.0000   14
H        9.769872990   -1.626491670   26.670446165 CORE   15 H  H    0.0000   15
H       10.433618214   -6.587093463   41.463864651 CORE   16 H  H    0.0000   16
N       12.538798070   14.809378322   19.925551696 CORE   17 N  N    0.0000   17
C       14.144354676   10.748329151   15.456056915 CORE   18 C  C    0.0000   18
H        1.601154067    6.953961176   21.230050520 CORE   19 H  H    0.0000   19
H       15.215444337   16.230319125    9.302631325 CORE   20 H  H    0.0000   20
H       14.475143549    7.197315146   14.345919208 CORE   21 H  H    0.0000   21
H       15.226736555   -3.574495432  -13.111568328 CORE   22 H  H    0.0000   22
H       14.210813362   12.289020418   17.031524949 CORE   23 H  H    0.0000   23
H       31.064433344   19.423756378  -13.793957823 CORE   24 H  H    0.0000   24
N        1.734175685   -5.221638478   21.982464473 CORE   25 N  N    0.0000   25
C        6.958352183    1.387784651   27.088109768 CORE   26 C  C    0.0000   26
H       12.772783896    1.045281998   19.661099717 CORE   27 H  H    0.0000   27
H        4.196778508   -7.224592478   16.225878343 CORE   28 H  H    0.0000   28
H        5.100555483  -14.675212841   12.907738473 CORE   29 H  H    0.0000   29
H        3.195474519   -5.437874467   29.315527072 CORE   30 H  H    0.0000   30
H       -0.578426801  -10.664214233   27.950670493 CORE   31 H  H    0.0000   31
H       -1.310965215    2.434836864   25.820128181 CORE   32 H  H    0.0000   32
O        6.149375394    6.176076289   33.823251897 CORE   33 O  O    0.0000   33
O        5.241115121    4.140422785   34.163710723 CORE   34 O  O    0.0000   34
C        4.579706068    8.124270779   36.264120367 CORE   35 C  C    0.0000   35
C        7.199030475    4.741834051   35.483438180 CORE   36 C  C    0.0000   36
C       11.669538786   10.196723412   39.151195612 CORE   37 C  C    0.0000   37
C        6.071130511    5.003717892   34.433499608 CORE   38 C  C    0.0000   38
H        4.598126068    7.296435582   36.983317580 CORE   39 H  H    0.0000   39
H        5.365280922    7.538220732   44.838354342 CORE   40 H  H    0.0000   40
H        9.929906863   -8.723321543   41.721162965 CORE   41 H  H    0.0000   41
H        7.697436894    5.714209856   35.670283961 CORE   42 H  H    0.0000   42
H       11.109526769   14.173366446   38.213673142 CORE   43 H  H    0.0000   43
H        2.988973831   12.463597085   35.176594015 CORE   44 H  H    0.0000   44
O       15.703581774    1.767476150   26.039653486 CORE   45 O  O    0.0000   45
O       14.286144983    0.851476303   27.626432283 CORE   46 O  O    0.0000   46
C       15.768756076    3.307656974   28.921773132 CORE   47 C  C    0.0000   47
C       16.268876281    1.991173848   28.503724359 CORE   48 C  C    0.0000   48
C       15.516873496    4.211277698   29.807554551 CORE   49 C  C    0.0000   49
C       15.295084222    1.497976949   27.476062473 CORE   50 C  C    0.0000   50
H       18.670046409    7.709628412   22.537619278 CORE   51 H  H    0.0000   51
H        4.715125254    7.057309523   41.082740490 CORE   52 H  H    0.0000   52
H       27.513164506   -0.590660771   23.486365495 CORE   53 H  H    0.0000   53
H       20.496782851    4.770384492   23.790115007 CORE   54 H  H    0.0000   54
H       22.801181876    7.862869220   25.821579361 CORE   55 H  H    0.0000   55
H       21.600315670   15.045506043   30.602864220 CORE   56 H  H    0.0000   56
O       13.332282680    9.759441006   34.646752775 CORE   57 O  O    0.0000   57
O       15.928287914    6.270345515   34.291657311 CORE   58 O  O    0.0000   58
C       10.654178238   10.719522592   31.543525488 CORE   59 C  C    0.0000   59
C       10.900342978    8.911030804   34.579677701 CORE   60 C  C    0.0000   60
C        9.560402773   11.510906347   32.164227095 CORE   61 C  C    0.0000   61
C       12.234801637    9.395645985   34.536087534 CORE   62 C  C    0.0000   62
H       30.740862645   18.682164850   36.130111269 CORE   63 H  H    0.0000   63
H       11.264402719   10.075326428   32.164298247 CORE   64 H  H    0.0000   64
H       10.196635766    9.728142880   34.826343685 CORE   65 H  H    0.0000   65
H       10.616697265    8.476095539   33.598752688 CORE   66 H  H    0.0000   66
H       21.372599935   17.300306514   32.808307560 CORE   67 H  H    0.0000   67
H       15.750731608   16.832359305   30.883841036 CORE   68 H  H    0.0000   68
O       -2.103224547    7.539460438   39.259595468 CORE   69 O  O    0.0000   69
O        3.412256758   13.783358600   37.039374705 CORE   70 O  O    0.0000   70
C        3.710572009   14.534893417   37.883977006 CORE   71 C  C    0.0000   71
C        3.336732474    8.746134355   41.342859601 CORE   72 C  C    0.0000   72
C        2.415248965    8.169849759   42.378677693 CORE   73 C  C    0.0000   73
C        4.390431660    9.584233202   41.975373877 CORE   74 C  C    0.0000   74
H       -8.892788288   18.016082477   27.019416173 CORE   75 H  H    0.0000   75
H      -14.395623939    6.971512569   40.032550040 CORE   76 H  H    0.0000   76
H      -15.758520502   20.135181037   42.047417978 CORE   77 H  H    0.0000   77
H        2.366654956   18.158818372   38.515708513 CORE   78 H  H    0.0000   78
H        8.255592406   33.525262240   34.701074682 CORE   79 H  H    0.0000   79
H       20.884913477   -1.783191256   36.407754067 CORE   80 H  H    0.0000   80
O       13.883688864    7.970405687   23.109482194 CORE   81 O  O    0.0000   81
O       13.455799700    5.661496471   22.476379891 CORE   82 O  O    0.0000   82
C       14.457022921    7.626451788   25.260984649 CORE   83 C  C    0.0000   83
C       14.483056723    6.244850458   24.642003372 CORE   84 C  C    0.0000   84
C       14.160126337    8.567776468   24.332658277 CORE   85 C  C    0.0000   85
C       13.897686067    6.438067790   23.287940489 CORE   86 C  C    0.0000   86
H       12.566464579    6.538069528   32.030119059 CORE   87 H  H    0.0000   87
H       11.381001054    8.834607734   13.999093774 CORE   88 H  H    0.0000   88
H       13.949021361    5.465094283   25.205910736 CORE   89 H  H    0.0000   89
H       15.534557745    5.913085572   24.547649274 CORE   90 H  H    0.0000   90
H        9.964447579   28.192469655   13.175199228 CORE   91 H  H    0.0000   91
H       14.151616373    9.649892168   24.371351452 CORE   92 H  H    0.0000   92
O       -5.785180152    1.079600866   41.951201117 CORE   93 O  O    0.0000   93
O       -5.802242532   -2.002835748   38.237254885 CORE   94 O  O    0.0000   94
C       -4.535451792    2.975025623   42.319934242 CORE   95 C  C    0.0000   95
C        1.219537179   -4.147081191   38.476239312 CORE   96 C  C    0.0000   96
C       -5.731809616    6.862207192   44.380357770 CORE   97 C  C    0.0000   97
C        5.923620435    2.185611601   39.156379944 CORE   98 C  C    0.0000   98
H       -7.816174663    2.016233671   42.448184648 CORE   99 H  H    0.0000   99
H       -5.221839780   -2.571917196   41.817974463 CORE  100 H  H    0.0000  100
H       -1.110961035   14.060397657   29.278747842 CORE  101 H  H    0.0000  101
H       -3.658719878    5.649491037   30.147296348 CORE  102 H  H    0.0000  102
H        4.605394134    8.112547949   39.664102831 CORE  103 H  H    0.0000  103
H       21.172851534   -4.676907652   35.813975629 CORE  104 H  H    0.0000  104
O        5.818094927    8.587361659   25.717738157 CORE  105 O  O    0.0000  105
O        6.663133679   10.020374805   24.162737102 CORE  106 O  O    0.0000  106
C        5.005007160    8.846736347   22.036766173 CORE  107 C  C    0.0000  107
C        4.918255256    8.639984310   23.477977931 CORE  108 C  C    0.0000  108
C        5.639207506    5.366717408   22.590688472 CORE  109 C  C    0.0000  109
C        5.784045333    9.060460767   24.465226356 CORE  110 C  C    0.0000  110
H        5.120096908    5.931463464   21.803150641 CORE  111 H  H    0.0000  111
H        6.028386200    8.970842111   21.659150454 CORE  112 H  H    0.0000  112
H       -0.868792260    8.371911635   28.798186824 CORE  113 H  H    0.0000  113
H        4.099522846    8.020411729   23.812619199 CORE  114 H  H    0.0000  114
H        5.384145053    4.942229475   24.720752445 CORE  115 H  H    0.0000  115
H        5.844370586    4.357980765   22.194239898 CORE  116 H  H    0.0000  116
O       12.033202789    3.927153627   39.719182983 CORE  117 O  O    0.0000  117
O       16.394679019   -6.562457336   37.643466660 CORE  118 O  O    0.0000  118
C       14.571618448    4.195188597   48.238608972 CORE  119 C  C    0.0000  119
C       13.337995269    2.916106055   37.933614501 CORE  120 C  C    0.0000  120
C       18.640161572    3.339408574   41.704256319 CORE  121 C  C    0.0000  121
C       12.180814476    3.136849248   38.664230161 CORE  122 C  C    0.0000  122
H       22.734742900    1.120372943   31.533818846 CORE  123 H  H    0.0000  123
H       15.407889394    3.375911142   37.481204481 CORE  124 H  H    0.0000  124
H       25.187108689    1.865573421   31.774531872 CORE  125 H  H    0.0000  125
H       11.180946282    5.180554113   34.394120317 CORE  126 H  H    0.0000  126
H       10.141256189   -9.327019903   32.106573420 CORE  127 H  H    0.0000  127
H        6.055900155   11.044599503   38.106689677 CORE  128 H  H    0.0000  128
O        6.508779123    4.310282141   36.674900195 CORE  129 O  O    0.0000  129
O       10.275433736   15.741981776   37.177615802 CORE  130 O  O    0.0000  130
C        8.138331420    1.028086274   39.621665530 CORE  131 C  C    0.0000  131
C        1.966122163    8.813092391   43.499771643 CORE  132 C  C    0.0000  132
C        6.949482340    1.485812097   39.100071462 CORE  133 C  C    0.0000  133
C        9.287749128   13.533386339   40.155401743 CORE  134 C  C    0.0000  134
H        7.880660838   -2.125745047   25.641358342 CORE  135 H  H    0.0000  135
H        7.885499444   -3.492235813   37.636007861 CORE  136 H  H    0.0000  136
H        8.151236360   31.319064407   55.318810584 CORE  137 H  H    0.0000  137
H        5.133969883  -17.710450787   35.486369500 CORE  138 H  H    0.0000  138
H        9.729286021   -0.245887888   32.124951760 CORE  139 H  H    0.0000  139
H       11.766754411   16.549726971   29.708910752 CORE  140 H  H    0.0000  140
O       13.815317029    8.909340255   48.308010362 CORE  141 O  O    0.0000  141
O       18.657189222    9.738570169   38.765251081 CORE  142 O  O    0.0000  142
C       15.745164740   -5.525534985   38.018192263 CORE  143 C  C    0.0000  143
C       22.515519376    2.992576905   39.459996020 CORE  144 C  C    0.0000  144
C       13.369931987    6.696579383   44.666611705 CORE  145 C  C    0.0000  145
C       21.270200177    2.601635789   38.874737185 CORE  146 C  C    0.0000  146
H       24.430228451   18.631732626   22.745019520 CORE  147 H  H    0.0000  147
H       27.064262410   -1.581669551   33.223727438 CORE  148 H  H    0.0000  148
H       22.498103404    5.778199403   31.205774685 CORE  149 H  H    0.0000  149
H       33.191903640    5.307308859   41.340764099 CORE  150 H  H    0.0000  150
H       13.944293612   -7.614410538   27.500417634 CORE  151 H  H    0.0000  151
H       30.977049726    6.248042457   35.586059542 CORE  152 H  H    0.0000  152
O       15.225276246    7.619838009   49.866295437 CORE  153 O  O    0.0000  153
O        9.824702716   12.047940814   48.670701563 CORE  154 O  O    0.0000  154
C       13.168260508    3.687997350   44.510648041 CORE  155 C  C    0.0000  155
C       14.974941925    2.945053533   48.072012838 CORE  156 C  C    0.0000  156
C       13.670399831    3.878465634   43.202421358 CORE  157 C  C    0.0000  157
C       15.344833554   11.318422687   40.695364167 CORE  158 C  C    0.0000  158
H      -12.295946456   12.463292027   37.642100474 CORE  159 H  H    0.0000  159
H       21.154529589   10.573478737   29.561827310 CORE  160 H  H    0.0000  160
H       11.167492704   13.425521154   32.017287865 CORE  161 H  H    0.0000  161
H       32.523901556   20.940575382   49.105956214 CORE  162 H  H    0.0000  162
H       13.429156807   -3.298177328   43.085710109 CORE  163 H  H    0.0000  163
H       14.482160549    4.599858780   43.105633062 CORE  164 H  H    0.0000  164
O       12.643952228    9.545202621   50.820753023 CORE  165 O  O    0.0000  165
O       27.383631347    4.857656415   41.111299379 CORE  166 O  O    0.0000  166
C       15.359156781    8.464595094   37.145055713 CORE  167 C  C    0.0000  167
C       16.389879975    8.948044264   36.266076586 CORE  168 C  C    0.0000  168
C       14.919979526    5.593145078   29.491002516 CORE  169 C  C    0.0000  169
C       21.616329564   -5.171156228   40.477115508 CORE  170 C  C    0.0000  170
H        6.608261758    4.955689815   37.398019824 CORE  171 H  H    0.0000  171
H       15.063969409    9.283356181   37.820629119 CORE  172 H  H    0.0000  172
H       19.154589993    9.864001878   35.297150049 CORE  173 H  H    0.0000  173
H        9.085793730   -0.422961331   23.448530347 CORE  174 H  H    0.0000  174
H       16.892967863   27.569477201   18.098069933 CORE  175 H  H    0.0000  175
H        6.361744681   10.562278585   23.362045784 CORE  176 H  H    0.0000  176
O       20.454980078    5.422637182   37.682746357 CORE  177 O  O    0.0000  177
O       14.696294981    4.250894259   39.234126692 CORE  178 O  O    0.0000  178
C       12.628569381    2.149643002   36.911506524 CORE  179 C  C    0.0000  179
C       12.911781719    1.600005450   35.737570667 CORE  180 C  C    0.0000  180
C       11.297519891    2.313664369   37.779996830 CORE  181 C  C    0.0000  181
C       15.875434278    6.139308980   33.155214734 CORE  182 C  C    0.0000  182
H       12.213251009   13.963021002   35.154672338 CORE  183 H  H    0.0000  183
H       11.197021051   -3.464530454   39.753165837 CORE  184 H  H    0.0000  184
H       10.801404261    8.117079050   35.343459480 CORE  185 H  H    0.0000  185
H       23.143421289   17.755251404   44.150524986 CORE  186 H  H    0.0000  186
H        9.014361506   -0.939340763   29.826180070 CORE  187 H  H    0.0000  187
H       25.679094523   -8.182660542   40.849300979 CORE  188 H  H    0.0000  188
O       10.479403762    6.750914939   24.874003574 CORE  189 O  O    0.0000  189
O        8.898372242    6.116808411   23.430821636 CORE  190 O  O    0.0000  190
C        9.519058866    7.201704834   27.099265501 CORE  191 C  C    0.0000  191
C        8.461914180    6.193930616   26.658049564 CORE  192 C  C    0.0000  192
C       10.805737011    6.960278051   26.343026701 CORE  193 C  C    0.0000  193
C        9.257616115    6.354100834   24.583677654 CORE  194 C  C    0.0000  194
H        1.751140336   19.252671515   26.440872281 CORE  195 H  H    0.0000  195
H        9.693799838    7.125764247   28.184431406 CORE  196 H  H    0.0000  196
H        8.464659720    6.171904448   25.487714352 CORE  197 H  H    0.0000  197
H        7.458380885    6.472588657   26.994856036 CORE  198 H  H    0.0000  198
H       11.492071943    7.812109630   26.365537443 CORE  199 H  H    0.0000  199
H       11.321213435    6.048524066   26.676955645 CORE  200 H  H    0.0000  200
O        6.154003233    5.011518298   42.238201396 CORE  201 O  O    0.0000  201
O        7.214406799    4.391518470   40.377365926 CORE  202 O  O    0.0000  202
C       -7.008336167    6.947123488   44.663764147 CORE  203 C  C    0.0000  203
C        4.887189975    4.021722704   40.419611818 CORE  204 C  C    0.0000  204
C        4.960331464    4.866263923   43.133932056 CORE  205 C  C    0.0000  205
C        6.086953793    4.491764348   41.021801845 CORE  206 C  C    0.0000  206
H        6.219371235    1.352738967   44.074149865 CORE  207 H  H    0.0000  207
H        3.824662787   29.791304025   55.987917095 CORE  208 H  H    0.0000  208
H       -9.071317298    4.962158986   52.404582564 CORE  209 H  H    0.0000  209
H       -4.401801708   -2.717492829   61.058394282 CORE  210 H  H    0.0000  210
H        8.010937180   -4.332919318   40.608870863 CORE  211 H  H    0.0000  211
H        8.011503277   -3.815491788   48.116647838 CORE  212 H  H    0.0000  212
O        3.330246160    9.441339336   32.719265121 CORE  213 O  O    0.0000  213
O        5.762480907   14.538845513   35.153975289 CORE  214 O  O    0.0000  214
C       -1.726331766    6.694989457   29.858152283 CORE  215 C  C    0.0000  215
C        7.087576006   10.650554634   32.061191926 CORE  216 C  C    0.0000  216
C        4.999547802    9.761334112   30.911181061 CORE  217 C  C    0.0000  217
C        2.730851899   11.483229964   35.582486737 CORE  218 C  C    0.0000  218
H        2.594281956    4.923571659   30.354718172 CORE  219 H  H    0.0000  219
H       26.168367428   22.810432541   37.642367558 CORE  220 H  H    0.0000  220
H        6.388011594   22.530952764   33.823808292 CORE  221 H  H    0.0000  221
H       -4.661395642   22.162927875   49.898537920 CORE  222 H  H    0.0000  222
H       -3.473018692   20.152331019   44.169322186 CORE  223 H  H    0.0000  223
H       -4.753538372   21.410841148   48.166900758 CORE  224 H  H    0.0000  224
O       16.075989562   11.524862822   27.271655605 CORE  225 O  O    0.0000  225
O       12.473422887    9.952104854   26.405300792 CORE  226 O  O    0.0000  226
C       16.235639639    7.452470697   28.811788690 CORE  227 C  C    0.0000  227
C       15.590070830    6.835195006   27.504280978 CORE  228 C  C    0.0000  228
C       14.549727436    9.018346377   27.231371234 CORE  229 C  C    0.0000  229
C       13.643665604   10.023739561   26.783091733 CORE  230 C  C    0.0000  230
H       18.123668246   19.004492785   30.597147989 CORE  231 H  H    0.0000  231
H        7.348423348   11.596307466   15.963500394 CORE  232 H  H    0.0000  232
H        9.163450944    8.224527919   26.900118302 CORE  233 H  H    0.0000  233
H       13.059082640   15.460202228   19.333137646 CORE  234 H  H    0.0000  234
H       10.819725264   11.693867606   27.904889550 CORE  235 H  H    0.0000  235
H       15.374431026   22.173938316   27.968658014 CORE  236 H  H    0.0000  236
O        1.819695200    6.041775102   25.550732930 CORE  237 O  O    0.0000  237
O        3.900687691    6.802315842   26.035951095 CORE  238 O  O    0.0000  238
C        3.478828182    5.637563327   23.929147152 CORE  239 C  C    0.0000  239
C       -3.014001651    5.866682315   28.097097164 CORE  240 C  C    0.0000  240
C        4.895262446    5.327822240   23.829244402 CORE  241 C  C    0.0000  241
C        3.133068941    6.202402728   25.273418751 CORE  242 C  C    0.0000  242
H       21.020857297   10.074212472   12.199993487 CORE  243 H  H    0.0000  243
H        1.709649793   14.335099371   20.383503071 CORE  244 H  H    0.0000  244
H       -3.729636376   20.427509752   14.096629330 CORE  245 H  H    0.0000  245
H        1.470018821   -8.529998335   31.649745666 CORE  246 H  H    0.0000  246
H        4.896030769   11.478693582   27.956579904 CORE  247 H  H    0.0000  247
H       -6.686684576   -4.057764812   30.162305303 CORE  248 H  H    0.0000  248
O       10.661558922   11.663824210   29.398728541 CORE  249 O  O    0.0000  249
O       11.418646621    9.551913232   29.604454873 CORE  250 O  O    0.0000  250
C       -2.787685002    7.844163015   26.611909855 CORE  251 C  C    0.0000  251
C        2.524707558   10.034898610   26.016671350 CORE  252 C  C    0.0000  252
C        4.540599326   10.446611530   29.707689226 CORE  253 C  C    0.0000  253
C       10.914451690   10.675436186   30.152406161 CORE  254 C  C    0.0000  254
H      -23.594457291    1.135638201   15.248778711 CORE  255 H  H    0.0000  255
H        8.665994632    6.893275935   38.495686745 CORE  256 H  H    0.0000  256
H        8.978603018   15.374631785   29.774379151 CORE  257 H  H    0.0000  257
H       -2.338852304  -15.735989363   33.219757632 CORE  258 H  H    0.0000  258
H       -2.265809518   14.006746211   25.175531870 CORE  259 H  H    0.0000  259
H        8.809632523   11.824750862   42.807494403 CORE  260 H  H    0.0000  260
O        8.109268783   -1.238059633   30.158953420 CORE  261 O  O    0.0000  261
O        4.313647938    6.232629985   31.936855680 CORE  262 O  O    0.0000  262
C        4.213067149    1.235282712   30.843600058 CORE  263 C  C    0.0000  263
C        2.151360514    5.178531479   31.329146881 CORE  264 C  C    0.0000  264
C        1.214339226    6.413234542   31.206954895 CORE  265 C  C    0.0000  265
C        3.207325607    5.412410097   32.388381938 CORE  266 C  C    0.0000  266
H        3.471258338   -2.737990683   26.366488841 CORE  267 H  H    0.0000  267
H        8.270884457    5.448667474   30.256871396 CORE  268 H  H    0.0000  268
H        2.238095715  -16.732414830   25.949172350 CORE  269 H  H    0.0000  269
H       13.055810738    2.985636869   32.338489932 CORE  270 H  H    0.0000  270
H        3.976987009    0.363621538   30.236395044 CORE  271 H  H    0.0000  271
H       -1.305014803    6.360431796   26.897658612 CORE  272 H  H    0.0000  272
O       14.816490412   11.401464535   39.670500886 CORE  273 O  O    0.0000  273
O        8.090207013   16.620806581   35.015698725 CORE  274 O  O    0.0000  274
C        7.287978726   11.729269837   34.315457165 CORE  275 C  C    0.0000  275
C        6.831782290   10.551168360   33.411424991 CORE  276 C  C    0.0000  276
C        8.192072982   11.420744331   31.496390459 CORE  277 C  C    0.0000  277
C        6.488181195    9.559485527   31.187790352 CORE  278 C  C    0.0000  278
H        4.883614560   21.902823087   36.777353752 CORE  279 H  H    0.0000  279
H       22.279419400   16.717442436   42.982612534 CORE  280 H  H    0.0000  280
H       -3.214397284    8.173651105   36.556611019 CORE  281 H  H    0.0000  281
H        6.548829207    8.614639579   31.753030759 CORE  282 H  H    0.0000  282
H       11.640304530   29.911205476   30.191876652 CORE  283 H  H    0.0000  283
H       10.911024933   18.217682580   33.771874033 CORE  284 H  H    0.0000  284
O        8.300350318   -2.323089527   26.506285792 CORE  285 O  O    0.0000  285
O       10.669305841   -1.192753694   26.872706821 CORE  286 O  O    0.0000  286
C        7.382388261    2.319923708   28.214595768 CORE  287 C  C    0.0000  287
C        8.615568937    2.067798810   28.836283901 CORE  288 C  C    0.0000  288
C       10.578338960    0.700394717   27.723155582 CORE  289 C  C    0.0000  289
C        9.615590541    1.292838957   28.254105958 CORE  290 C  C    0.0000  290
H       16.192252222   -6.022580021   30.892490457 CORE  291 H  H    0.0000  291
H        1.715098985    7.243107363   30.693638663 CORE  292 H  H    0.0000  292
H       22.975624223   -2.976167561   19.078786279 CORE  293 H  H    0.0000  293
H       20.100815182   -2.323650206   25.027162293 CORE  294 H  H    0.0000  294
H       13.208660636   -4.301914440   22.522778881 CORE  295 H  H    0.0000  295
H       24.037212817   -1.765529851   28.924403366 CORE  296 H  H    0.0000  296
O        8.095751160    4.642711290   29.678630498 CORE  297 O  O    0.0000  297
O        5.916139100    5.106708749   30.036350012 CORE  298 O  O    0.0000  298
C        5.132123641    3.390407566   27.884067469 CORE  299 C  C    0.0000  299
C        6.478514406    3.338906565   28.543732447 CORE  300 C  C    0.0000  300
C        5.268581322   -1.847580877   28.805800238 CORE  301 C  C    0.0000  301
C        6.787576119    4.425161828   29.478513399 CORE  302 C  C    0.0000  302
H        4.591442928    4.306985163   28.151046038 CORE  303 H  H    0.0000  303
H        5.210056875    3.337710770   26.787204986 CORE  304 H  H    0.0000  304
H        7.749628441    0.665017881   26.864876688 CORE  305 H  H    0.0000  305
H        6.738864034    1.941182564   26.163874780 CORE  306 H  H    0.0000  306
H       23.170894161   15.423510696   34.786255182 CORE  307 H  H    0.0000  307
H        1.758803828   -2.337107597   26.751374179 CORE  308 H  H    0.0000  308
O       11.015259542    7.105617588   41.675001104 CORE  309 O  O    0.0000  309
O       10.147109034   -2.384263588   43.342337088 CORE  310 O  O    0.0000  310
C        8.467657246    9.012125633   41.517249600 CORE  311 C  C    0.0000  311
C        8.938187445   10.316180580   41.305033525 CORE  312 C  C    0.0000  312
C        8.378517406    8.331422934   42.698733715 CORE  313 C  C    0.0000  313
C       12.268028778    7.137951367   41.224984878 CORE  314 C  C    0.0000  314
H      -16.696745900   30.347550551   48.074597925 CORE  315 H  H    0.0000  315
H        4.153669752    6.890622257   58.857465212 CORE  316 H  H    0.0000  316
H        5.287836764    1.038037909   34.548899122 CORE  317 H  H    0.0000  317
H       13.258787307   42.736314351   39.910493053 CORE  318 H  H    0.0000  318
H       10.200419387   14.900233369   45.510470151 CORE  319 H  H    0.0000  319
H       13.898630427   15.383828671   41.546128867 CORE  320 H  H    0.0000  320
I        0.538714532    7.730578654   35.922624416 CORE  321 I  I    0.0000  321
I        9.316290325    0.202245339   34.410302732 CORE  322 I  I    0.0000  322
I       14.417734744   -0.617014955   26.890989160 CORE  323 I  I    0.0000  323
I       10.108825618    6.454175834   37.818201649 CORE  324 I  I    0.0000  324
I        9.958031464    9.255756377   20.931960444 CORE  325 I  I    0.0000  325
I        8.859070939    2.405370540   23.226331592 CORE  326 I  I    0.0000  326
Pb      10.601504143    5.373352939   21.551981424 CORE  327 Pb Pb   0.0000  327
I        6.474957684   -0.410933539   21.926818603 CORE  328 I  I    0.0000  328
I       14.809401796    0.176070501   23.454152915 CORE  329 I  I    0.0000  329
Pb      12.669872236    2.428881108   22.301878631 CORE  330 Pb Pb   0.0000  330
I       12.181060497    3.038040211   25.556417076 CORE  331 I  I    0.0000  331
I       13.139901702   11.407729973   22.667402235 CORE  332 I  I    0.0000  332
Pb      12.154290933    0.047112403   26.359133209 CORE  333 Pb Pb   0.0000  333
I        9.693642362    7.076742646   31.349966893 CORE  334 I  I    0.0000  334
I        2.677419529    0.584353810   33.053141323 CORE  335 I  I    0.0000  335
Pb       7.822577339    1.924650550   36.291557755 CORE  336 Pb Pb   0.0000  336
Pb       4.632411680    1.011427032    4.799141142 CORE  337 Pb Pb   0.0000  337
Pb       3.850170062    0.585504867   14.136838661 CORE  338 Pb Pb   0.0000  338
Pb      14.629227572    1.650809432    4.561596930 CORE  339 Pb Pb   0.0000  339
Pb      13.895555477    0.507865475   11.258883731 CORE  340 Pb Pb   0.0000  340
I        9.665970786    3.288439504   47.054571159 CORE  341 I  I    0.0000  341
I        7.215115493    4.183640352    9.683697169 CORE  342 I  I    0.0000  342
I        8.663899066    5.152214039   19.104161736 CORE  343 I  I    0.0000  343
I        0.437225740    3.437860443   -2.267406669 CORE  344 I  I    0.0000  344
I       18.358159544    6.259147775   12.035853067 CORE  345 I  I    0.0000  345
I       17.882135430    4.557015466   16.738594478 CORE  346 I  I    0.0000  346
Pb       9.094392259    9.140777742   44.625806606 CORE  347 Pb Pb   0.0000  347
Pb       7.706590320    7.584051971    8.750829501 CORE  348 Pb Pb   0.0000  348
Pb       8.787248865    8.355835900   17.811142419 CORE  349 Pb Pb   0.0000  349
Pb      16.576585182    5.471113747   39.950446015 CORE  350 Pb Pb   0.0000  350
Pb      17.479911373    7.348179516    9.793054119 CORE  351 Pb Pb   0.0000  351
Pb      15.302820740    8.848739301   16.410570483 CORE  352 Pb Pb   0.0000  352
I        5.194376009   11.396956834    3.653911288 CORE  353 I  I    0.0000  353
I        2.820616665   11.447869276    9.453395157 CORE  354 I  I    0.0000  354
I       14.883382289   11.344340755    6.494254568 CORE  355 I  I    0.0000  355
I       16.618108471   12.525021000   17.222573700 CORE  356 I  I    0.0000  356
Pb       4.198838845    8.404359893    3.712756747 CORE  357 Pb Pb   0.0000  357
Pb       2.433451738    7.886286186   13.783466215 CORE  358 Pb Pb   0.0000  358
Pb      14.353317233    8.040114535    5.870566501 CORE  359 Pb Pb   0.0000  359
Pb      15.578496682    8.678896817   12.649917707 CORE  360 Pb Pb   0.0000  360
I        7.020629395   11.378120630   -0.927602656 CORE  361 I  I    0.0000  361
I        8.223526831   10.716982557    9.894343009 CORE  362 I  I    0.0000  362
I        9.082151806   11.647281919   17.813167091 CORE  363 I  I    0.0000  363
I       14.571975275    8.922490386   46.432931054 CORE  364 I  I    0.0000  364
I       19.230194724   12.836680767    9.002195688 CORE  365 I  I    0.0000  365
I        2.023768428   10.282841962   18.928331438 CORE  366 I  I    0.0000  366
Pb      10.306592189    3.723457440   44.721995585 CORE  367 Pb Pb   0.0000  367
Pb       7.386655744    0.986478939    8.507303068 CORE  368 Pb Pb   0.0000  368
Pb      10.091921197    2.210775136   19.761390598 CORE  369 Pb Pb   0.0000  369
Pb      17.061490812    2.371475593    1.544241744 CORE  370 Pb Pb   0.0000  370
Pb      17.454569776    2.007097148    8.233014089 CORE  371 Pb Pb   0.0000  371
Pb      -1.072193708    0.279986215   19.564857343 CORE  372 Pb Pb   0.0000  372
I        2.356599389    5.555852495    3.239265327 CORE  373 I  I    0.0000  373
I        3.738413473    3.735249927   13.725527199 CORE  374 I  I    0.0000  374
I       13.353069018    4.794442524    6.081622369 CORE  375 I  I    0.0000  375
I       16.967145651    6.125084533   12.809781101 CORE  376 I  I    0.0000  376
I        1.838000017    0.290799152    6.208522049 CORE  377 I  I    0.0000  377
I        3.044189740    0.291901898   17.123657843 CORE  378 I  I    0.0000  378
I        8.110176162    0.432519005    5.426241697 CORE  379 I  I    0.0000  379
I       10.878045675    0.012862642   16.065775057 CORE  380 I  I    0.0000  380
I        6.059699371    2.096597995    1.836102544 CORE  381 I  I    0.0000  381
I        7.315413060    0.662891040   12.632586331 CORE  382 I  I    0.0000  382
I       17.564053759    2.652071242    4.550337364 CORE  383 I  I    0.0000  383
I       16.987128685    1.087133010   11.092943433 CORE  384 I  I    0.0000  384
I        7.371011478    1.422700342   45.256018469 CORE  385 I  I    0.0000  385
I        5.130277345   -1.023211074    6.804537254 CORE  386 I  I    0.0000  386
I        4.221718606   -0.891842795   20.119056909 CORE  387 I  I    0.0000  387
I       16.256996874   -1.557021727   42.439857052 CORE  388 I  I    0.0000  388
I       15.169594217    0.120343573    7.298802658 CORE  389 I  I    0.0000  389
I       14.049833671    2.153451416   14.074283705 CORE  390 I  I    0.0000  390
I        0.694044582   10.368883510   -0.062438435 CORE  391 I  I    0.0000  391
I        0.691352434   10.175874677   10.391201340 CORE  392 I  I    0.0000  392
I       11.284348515    7.206340889    2.594011759 CORE  393 I  I    0.0000  393
I       11.266069453   10.092285970   12.936263372 CORE  394 I  I    0.0000  394
I        2.231383400    0.581018291    2.964781561 CORE  395 I  I    0.0000  395
I        1.605636341    0.042116551   12.132191918 CORE  396 I  I    0.0000  396
I        1.154669789    2.770447102   21.299842252 CORE  397 I  I    0.0000  397
I       15.166998862   -0.006190690    1.885784836 CORE  398 I  I    0.0000  398
I       10.821522571    0.443250317   10.869832065 CORE  399 I  I    0.0000  399
I       11.648966620   -0.412389099   20.322144846 CORE  400 I  I    0.0000  400
I        5.601632902    7.025926491    6.713444574 CORE  401 I  I    0.0000  401
I        7.424742412    6.955695576   14.780279572 CORE  402 I  I    0.0000  402
I       17.471105120    7.364081000    6.669719726 CORE  403 I  I    0.0000  403
I       17.687727679    9.662577548   14.729788975 CORE  404 I  I    0.0000  404
I        2.001900533    8.265935197   47.565197778 CORE  405 I  I    0.0000  405
I        1.196834309    8.911498727    5.097807335 CORE  406 I  I    0.0000  406
I        1.218245272    7.760888635   17.884340833 CORE  407 I  I    0.0000  407
I       10.518398933   13.404487399   49.316128423 CORE  408 I  I    0.0000  408
I       10.183296734    7.954039241    7.519438485 CORE  409 I  I    0.0000  409
I       11.534294937    7.643733516   16.612913589 CORE  410 I  I    0.0000  410
I        6.421757096    6.455562941    1.962481555 CORE  411 I  I    0.0000  411
I        4.799114852    7.466341616   11.292976339 CORE  412 I  I    0.0000  412
I        5.452847083    8.389497938   18.279296540 CORE  413 I  I    0.0000  413
I       16.744316509    5.488599619    0.445411503 CORE  414 I  I    0.0000  414
I       14.440246004    7.712198180    9.709894542 CORE  415 I  I    0.0000  415
I       16.257776384    9.889220879   19.402814313 CORE  416 I  I    0.0000  416
C       13.082179392    8.188251318   -4.604669175 CORE  417 C  C    0.0000  417
C        9.772108843    3.486790494   13.710689199 CORE  418 C  C    0.0000  418
C        1.643657514    9.502846891   -1.581961153 CORE  419 C  C    0.0000  419
C       20.009719580    4.033540699    6.844565611 CORE  420 C  C    0.0000  420
N        4.216637268    3.375785370    5.193272653 CORE  421 N  N    0.0000  421
N       10.445952747    3.016385185   21.853593177 CORE  422 N  N    0.0000  422
N       19.220220851    4.793371036    7.246160764 CORE  423 N  N    0.0000  423
N       15.821308481    3.701852896    8.627861331 CORE  424 N  N    0.0000  424
C        8.727679011    9.870027698    2.287866832 CORE  425 C  C    0.0000  425
C        3.357418480    3.072122720    9.981537106 CORE  426 C  C    0.0000  426
C        4.815607384    3.656484167   18.613491456 CORE  427 C  C    0.0000  427
C       11.811569295    2.251223932   -3.735215372 CORE  428 C  C    0.0000  428
C       11.269807176    4.717386552    9.783171900 CORE  429 C  C    0.0000  429
C       13.820183456    5.283371639   19.354038528 CORE  430 C  C    0.0000  430
N        1.484942686    4.145829413   40.972452742 CORE  431 N  N    0.0000  431
N        6.447585893    0.821080600    6.599210950 CORE  432 N  N    0.0000  432
N        3.372072195    3.591525545   18.230012199 CORE  433 N  N    0.0000  433
N       12.302556470    4.250928662   -0.897422345 CORE  434 N  N    0.0000  434
N       11.045768960    3.552575996    8.877101173 CORE  435 N  N    0.0000  435
N       12.598280326    5.979824120   19.786333522 CORE  436 N  N    0.0000  436
C        9.593604292   11.221247325    5.694201390 CORE  437 C  C    0.0000  437
C        6.101634530   14.120352363   13.903297458 CORE  438 C  C    0.0000  438
C        9.432195783   10.917207197    2.529525522 CORE  439 C  C    0.0000  439
C        4.994632320   10.988377960   13.967644930 CORE  440 C  C    0.0000  440
N        8.507494309   11.596975221    5.867668962 CORE  441 N  N    0.0000  441
N        7.934877519   10.766065884   16.122478460 CORE  442 N  N    0.0000  442
N       21.973546567   10.306769543   -3.015391490 CORE  443 N  N    0.0000  443
N       20.456932818   12.077777185   14.474559413 CORE  444 N  N    0.0000  444
C       12.727118457    9.320929185   42.365641516 CORE  445 C  C    0.0000  445
C        0.944640834    9.591026523    7.242221434 CORE  446 C  C    0.0000  446
C        3.490935292   11.147538476   14.075570911 CORE  447 C  C    0.0000  447
C        9.569475301   11.155362440   -3.729427300 CORE  448 C  C    0.0000  448
C       13.491701784   11.227878121    8.182018463 CORE  449 C  C    0.0000  449
C       13.735637371   11.413105152   16.578837228 CORE  450 C  C    0.0000  450
N        5.164523208   11.501676161   -8.175616474 CORE  451 N  N    0.0000  451
N        1.619711581    7.231827668    8.656658058 CORE  452 N  N    0.0000  452
N        2.825175066   10.200004534   13.085008041 CORE  453 N  N    0.0000  453
N       10.643913744   15.583454779   -3.375931313 CORE  454 N  N    0.0000  454
N       12.457890836   10.427210042    8.362261464 CORE  455 N  N    0.0000  455
N       12.566914520   10.878674317   17.274058867 CORE  456 N  N    0.0000  456
H       12.699068021   19.125869675   -5.473992180 CORE  457 H  H    0.0000  457
H       12.599322865   18.234292384   13.824114084 CORE  458 H  H    0.0000  458
H       24.626144584   11.721378545  -10.726720610 CORE  459 H  H    0.0000  459
H        7.440039139   17.348521724    4.485172974 CORE  460 H  H    0.0000  460
H       10.627063561   10.956134246    5.825709561 CORE  461 H  H    0.0000  461
H        4.625675655   15.356565766   28.201552821 CORE  462 H  H    0.0000  462
H       11.899397045   21.941310306   -3.174942470 CORE  463 H  H    0.0000  463
H       -3.761859659    1.612216449   35.344267784 CORE  464 H  H    0.0000  464
H       44.055286801   30.756574656    7.048491544 CORE  465 H  H    0.0000  465
H       12.101580536   18.445560327   14.343743953 CORE  466 H  H    0.0000  466
H      -14.116177939   23.063900863   -2.385958631 CORE  467 H  H    0.0000  467
H        3.335653574    7.092117279   28.627692976 CORE  468 H  H    0.0000  468
H       -6.604651482   17.142564474   49.818685207 CORE  469 H  H    0.0000  469
H      -33.180474010    2.833052492    3.532053873 CORE  470 H  H    0.0000  470
H       -1.612779832    8.435007251   20.172744371 CORE  471 H  H    0.0000  471
H        4.044818610  -20.003126517   42.894525838 CORE  472 H  H    0.0000  472
H        3.665565441   15.363795806    9.051454342 CORE  473 H  H    0.0000  473
H       24.082951724    2.039331242   14.604323008 CORE  474 H  H    0.0000  474
H       10.393993219   16.713339696   -8.987514885 CORE  475 H  H    0.0000  475
H        6.052534946   19.950785104   -1.441504977 CORE  476 H  H    0.0000  476
H        0.955317155   19.611901862   32.178603035 CORE  477 H  H    0.0000  477
H       24.857841718    2.762636476   20.843794248 CORE  478 H  H    0.0000  478
H       20.311729185   20.213861063    9.120718027 CORE  479 H  H    0.0000  479
H       -3.694724379    4.917284681   12.029331410 CORE  480 H  H    0.0000  480
H       31.666485686   30.442944237   47.749084093 CORE  481 H  H    0.0000  481
H        0.932576086    7.092218891    9.414780568 CORE  482 H  H    0.0000  482
H        7.745587290   10.776608295   27.178791908 CORE  483 H  H    0.0000  483
H        2.541586786   -9.816515897   39.255618043 CORE  484 H  H    0.0000  484
H       13.952348243   28.421952615   10.760697575 CORE  485 H  H    0.0000  485
H       -5.376047766    4.734263658   10.102185916 CORE  486 H  H    0.0000  486
H        9.019035400   -2.820460453   11.080809930 CORE  487 H  H    0.0000  487
H       -2.833235250   11.258776520   14.806393527 CORE  488 H  H    0.0000  488
H       22.092849452    9.714996255   21.716097701 CORE  489 H  H    0.0000  489
H       21.895507801    5.959393011   16.887428892 CORE  490 H  H    0.0000  490
H        3.450649284    3.436881651    5.956373218 CORE  491 H  H    0.0000  491
H        9.559611431    3.312956585   14.771488047 CORE  492 H  H    0.0000  492
H       15.088809790    4.539671939   16.294999236 CORE  493 H  H    0.0000  493
H       16.194554482   14.364330835   17.783865799 CORE  494 H  H    0.0000  494
H        5.024870040    3.860037517    5.590627829 CORE  495 H  H    0.0000  495
H        9.903032310    2.408526493   24.549501923 CORE  496 H  H    0.0000  496
H       19.611313231   10.633321034   12.876506804 CORE  497 H  H    0.0000  497
H       22.173114652    8.029968147   21.519032234 CORE  498 H  H    0.0000  498
H       -5.756492449   -3.230504594   53.960114147 CORE  499 H  H    0.0000  499
H       -1.595346013   -5.227484629    3.692897775 CORE  500 H  H    0.0000  500
H        3.146340245    4.248100549   17.469408067 CORE  501 H  H    0.0000  501
H      -16.275972919   -2.295478688    7.180539372 CORE  502 H  H    0.0000  502
H       11.689951632    3.620027629    8.066773554 CORE  503 H  H    0.0000  503
H       12.883364890    6.822278126   20.290556084 CORE  504 H  H    0.0000  504
H       10.082438702    3.577745056   54.590277430 CORE  505 H  H    0.0000  505
H       -4.951712996   -2.332603835    4.861690003 CORE  506 H  H    0.0000  506
H        2.746361866    3.790771857   19.026854792 CORE  507 H  H    0.0000  507
H        2.201693133    6.030472922   37.151856679 CORE  508 H  H    0.0000  508
H        4.475152816  -14.079412094   -7.283192510 CORE  509 H  H    0.0000  509
H       18.954848799    4.627761820   15.497898308 CORE  510 H  H    0.0000  510
H       -7.620317583    0.432187988   40.711275673 CORE  511 H  H    0.0000  511
H       -1.496062367   -8.293479955    9.031541937 CORE  512 H  H    0.0000  512
H        3.145399944    2.627144445   17.871824030 CORE  513 H  H    0.0000  513
H       18.634549799   -1.484363237   34.477915402 CORE  514 H  H    0.0000  514
H       11.161684302    2.643801419    9.382009973 CORE  515 H  H    0.0000  515
H       12.108901394    6.336166664   18.953629220 CORE  516 H  H    0.0000  516
H        8.000515088   -4.541564104  -10.760872139 CORE  517 H  H    0.0000  517
H       10.817570379    6.694395780   11.913068578 CORE  518 H  H    0.0000  518
H        5.357277079   31.077611034    2.027182237 CORE  519 H  H    0.0000  519
H       14.489159537   13.804193468   15.155873233 CORE  520 H  H    0.0000  520
H        3.944588506    4.321071856   -5.204419836 CORE  521 H  H    0.0000  521
H        7.000711980   18.267432374   15.073882289 CORE  522 H  H    0.0000  522
H       10.292833878    3.326088952    5.917186475 CORE  523 H  H    0.0000  523
H       15.313501835    5.210655575   16.042302106 CORE  524 H  H    0.0000  524
H       20.528049732   22.195241637   -5.442375154 CORE  525 H  H    0.0000  525
H       23.165379604   22.897892184   14.427524973 CORE  526 H  H    0.0000  526
H       27.846967514    4.679595846   -5.815904034 CORE  527 H  H    0.0000  527
H       14.043716289    8.144633621   -5.113452909 CORE  528 H  H    0.0000  528
H        5.403303781    6.208750773  -12.978058825 CORE  529 H  H    0.0000  529
H        1.640803444    6.370259694    8.047007134 CORE  530 H  H    0.0000  530
H        6.476035035   12.302806758   33.814915838 CORE  531 H  H    0.0000  531
H       -7.595197286  -13.828459909   -4.219715958 CORE  532 H  H    0.0000  532
H       50.250638012   15.021639415   47.277945065 CORE  533 H  H    0.0000  533
H       11.704374195   11.023201791   16.722188095 CORE  534 H  H    0.0000  534
H       -9.663634983    7.299572810   -3.333800647 CORE  535 H  H    0.0000  535
H        1.331807146    8.136132305    8.076190323 CORE  536 H  H    0.0000  536
H        7.119910270   14.864005167   20.961984317 CORE  537 H  H    0.0000  537
H      -12.315709752    9.612337826   -4.579234828 CORE  538 H  H    0.0000  538
H       13.720153166   15.238153106   10.080974193 CORE  539 H  H    0.0000  539
H       12.632092760    9.851991820   17.440942378 CORE  540 H  H    0.0000  540
H       -6.053365459   26.380502936   31.372072459 CORE  541 H  H    0.0000  541
H       -9.506456563   28.389394243    1.665943030 CORE  542 H  H    0.0000  542
H       -5.329093397   16.740514199   16.560661024 CORE  543 H  H    0.0000  543
H       17.309071902   -3.865907069    6.995473903 CORE  544 H  H    0.0000  544
H       12.175457834   10.494118112    9.346289090 CORE  545 H  H    0.0000  545
H       12.381669901   11.359649211   18.195906035 CORE  546 H  H    0.0000  546
H       17.206269771   18.466816331    9.493635666 CORE  547 H  H    0.0000  547
H        8.576359204   -1.945565820   15.414891888 CORE  548 H  H    0.0000  548
H       27.717140714   -9.835392552  -13.433200620 CORE  549 H  H    0.0000  549
H       23.040964979   -0.976303108   14.462557754 CORE  550 H  H    0.0000  550
H      -24.607545345   -9.703870044    6.345163807 CORE  551 H  H    0.0000  551
H       11.798239035    3.431468907   16.908350717 CORE  552 H  H    0.0000  552
H        4.998638055   -1.997961516   -2.668877119 CORE  553 H  H    0.0000  553
H        6.048631012    0.830897579   27.356002086 CORE  554 H  H    0.0000  554
H       25.086228772   -1.130884090    6.196151059 CORE  555 H  H    0.0000  555
H       10.738884120    3.984945415   13.592706754 CORE  556 H  H    0.0000  556
H      -14.547920274    6.357474609   23.160633136 CORE  557 H  H    0.0000  557
H       13.764263519    5.938979457   -0.733161485 CORE  558 H  H    0.0000  558
H       -6.991029583    1.350769757   63.096649892 CORE  559 H  H    0.0000  559
H        3.896839714    2.616710232   10.817921192 CORE  560 H  H    0.0000  560
H        5.409874932    3.385670480   17.735209537 CORE  561 H  H    0.0000  561
H       21.536287152    3.970856198    4.442011780 CORE  562 H  H    0.0000  562
H       11.038937323    5.629259675    9.221974774 CORE  563 H  H    0.0000  563
H       14.311070669    4.809976648   20.213794663 CORE  564 H  H    0.0000  564
H        9.998170844   -6.224760594   12.101554772 CORE  565 H  H    0.0000  565
H       -2.354575451    4.011473915    7.770896971 CORE  566 H  H    0.0000  566
H        5.072454023    4.668325609   18.943793902 CORE  567 H  H    0.0000  567
H        7.763221461  -11.398492435  -13.803977185 CORE  568 H  H    0.0000  568
H       10.602884537    4.619361221   10.642925499 CORE  569 H  H    0.0000  569
H       13.555155931    4.511925619   18.620417226 CORE  570 H  H    0.0000  570
H      -10.440198217    3.982390959    3.965025460 CORE  571 H  H    0.0000  571
H        2.285842369    2.999612165   10.188916483 CORE  572 H  H    0.0000  572
H        4.991081770    2.932693271   19.414978553 CORE  573 H  H    0.0000  573
H       24.568503747  -16.252744078  -15.804940650 CORE  574 H  H    0.0000  574
H       12.919736440  -10.004457851  -41.479519311 CORE  575 H  H    0.0000  575
H       14.549757778    5.955247145   18.873355574 CORE  576 H  H    0.0000  576
end
end