This file is indexed.

/usr/share/gdis/models/BUG_MS1.gin is in gdis-data 0.90-5.

This file is owned by root:root, with mode 0o644.

The actual contents of the file can be viewed below.

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single

library gdis.lib

name 1FUF

cartesian
O    core   -9.56100   11.31800   10.67500 
C    core   -9.28200   12.61700   11.18800 
C    core   -9.54600   12.73500   12.67100 
O    core  -10.95200   12.50200   12.92800 
C    core   -8.81400   11.74400   13.56200 
O    core   -7.53400   12.25400   13.90600 
C    core   -9.71400   11.69900   14.78800 
O    core   -9.49400   12.83200   15.59600 
C    core  -11.10200   11.77200   14.14200 
N    core  -11.62800   10.45700   13.79400 
C    core  -11.84900    9.96000   12.52400 
N    core  -12.32000    8.74600   12.53000 
C    core  -12.42800    8.42500   13.87500 
C    core  -12.88600    7.23100   14.49500 
O    core  -13.34600    6.22800   13.96300 
N    core  -12.79100    7.30500   15.87700 
C    core  -12.34800    8.40700   16.57500 
N    core  -12.36100    8.31700   17.91200 
N    core  -11.92500    9.52900   16.00200 
C    core  -11.99300    9.46500   14.66400 
P    core   -6.32000   11.25200   14.17100 
O    core   -5.10700   12.11100   14.30500 
O    core   -6.31100   10.12100   13.21200 
O    core   -6.64100   10.63600   15.59400 
C    core   -6.50400   11.40000   16.78400 
C    core   -6.90100   10.56700   17.97600 
O    core   -8.30700   10.19300   17.87800 
C    core   -6.20300    9.23000   18.09000 
O    core   -4.87200    9.35300   18.58100 
C    core   -7.14700    8.50300   19.03700 
O    core   -7.11500    9.03800   20.36000 
C    core   -8.49100    8.88900   18.41800 
N    core   -8.88500    7.99300   17.33000 
C    core   -8.79300    8.22100   15.97200 
N    core   -9.25200    7.23400   15.25300 
C    core   -9.67800    6.29500   16.19100 
C    core  -10.26100    5.02400   16.01500 
O    core  -10.55000    4.45800   14.95800 
N    core  -10.49900    4.39100   17.23900 
C    core  -10.19800    4.91500   18.47800 
N    core  -10.44100    4.12600   19.55900 
N    core   -9.67700    6.11000   18.65500 
C    core   -9.43900    6.74200   17.47800 
P    core   -3.74500    8.33500   18.05400 
O    core   -2.50400    8.83200   18.71000 
O    core   -3.81100    8.23200   16.57200 
O    core   -4.17800    6.94200   18.67100 
C    core   -4.28800    6.80000   20.07100 
C    core   -4.95300    5.50700   20.40500 
O    core   -6.21300    5.43400   19.70200 
C    core   -4.23100    4.25100   19.94900 
O    core   -3.23100    3.93700   20.91100 
C    core   -5.36800    3.23800   19.96700 
O    core   -5.76500    2.83600   21.25800 
C    core   -6.51900    4.08300   19.43100 
N    core   -6.75600    3.92800   17.99000 
C    core   -7.46900    2.80500   17.58800 
O    core   -7.86100    1.96000   18.36700 
N    core   -7.71200    2.72100   16.24200 
C    core   -7.32500    3.61600   15.28700 
O    core   -7.59400    3.39600   14.10200 
C    core   -6.58400    4.75000   15.78300 
C    core   -6.32500    4.85300   17.08300 
P    core   -2.02900    2.95400   20.53600 
O    core   -1.23700    2.80800   21.81200 
O    core   -1.34800    3.36800   19.30700 
O    core   -2.75700    1.56500   20.28400 
C    core   -3.30400    0.84100   21.38000 
C    core   -3.94100   -0.44300   20.89600 
O    core   -5.03500   -0.12100   20.00700 
C    core   -3.06900   -1.34100   20.04900 
O    core   -2.17000   -2.08000   20.86500 
C    core   -4.10700   -2.22100   19.36400 
O    core   -4.61300   -3.24100   20.21600 
C    core   -5.21400   -1.19600   19.08900 
N    core   -5.18000   -0.63900   17.73300 
C    core   -4.65900    0.55900   17.28300 
N    core   -4.87500    0.77700   15.99400 
C    core   -5.55600   -0.36000   15.57800 
C    core   -6.08700   -0.74800   14.33800 
N    core   -6.04100   -0.00300   13.24300 
N    core   -6.70000   -1.95300   14.26700 
C    core   -6.78000   -2.69700   15.37400 
N    core   -6.33800   -2.43200   16.59300 
C    core   -5.73300   -1.24300   16.63000 
P    core   -0.70100   -2.39500   20.32600 
O    core    0.01100   -3.07800   21.45300 
O    core   -0.07900   -1.21400   19.65500 
O    core   -0.90700   -3.45700   19.14800 
C    core   -1.41300   -4.77300   19.41000 
C    core   -1.79500   -5.44800   18.11000 
O    core   -2.88400   -4.70500   17.50800 
C    core   -0.73300   -5.46400   17.03100 
O    core    0.11400   -6.59600   17.20200 
C    core   -1.57800   -5.66700   15.77200 
O    core   -1.97500   -7.01000   15.59500 
C    core   -2.84500   -4.86900   16.10300 
N    core   -2.84200   -3.55600   15.43600 
C    core   -3.41200   -3.49700   14.17600 
O    core   -3.92300   -4.46900   13.63100 
N    core   -3.34500   -2.27000   13.55500 
C    core   -2.76200   -1.10900   14.03800 
O    core   -2.74800   -0.10000   13.31300 
C    core   -2.19300   -1.22900   15.36700 
C    core   -2.25900   -2.42400   16.01100 
P    core    1.65300   -6.40800   17.56500 
O    core    2.21300   -7.77700   17.84700 
O    core    1.73100   -5.37300   18.61100 
O    core    2.39700   -5.65600   16.35700 
C    core    2.46200   -6.10900   15.00600 
C    core    3.65900   -5.44400   14.30100 
O    core    3.66500   -3.99400   14.35900 
C    core    5.05000   -5.88200   14.77700 
O    core    5.67300   -6.34800   13.58400 
C    core    5.81500   -4.58700   15.05400 
O    core    7.17700   -4.57500   14.69400 
C    core    5.00600   -3.58700   14.22500 
N    core    5.17000   -2.16800   14.54800 
C    core    5.58200   -1.31500   13.51900 
O    core    5.72600   -1.68200   12.34200 
N    core    5.80100   -0.01600   13.91200 
C    core    5.63400    0.49600   15.19500 
O    core    5.91500    1.67400   15.42100 
C    core    5.17100   -0.43800   16.16100 
C    core    4.95500   -1.70000   15.81800 
P    core    6.12300   -7.86000   13.41500 
O    core    7.21100   -8.08000   14.39500 
O    core    6.40200   -7.99100   11.96400 
O    core    4.83600   -8.65600   13.89500 
C    core    3.79000   -9.08800   13.00000 
C    core    3.11800  -10.29700   13.60600 
O    core    4.17600  -11.21100   13.90000 
C    core    2.35800  -10.01100   14.90400 
O    core    1.07600  -10.60100   14.74300 
C    core    3.47800  -10.46700   15.79600 
O    core    2.76000  -10.30500   17.01700 
C    core    4.01800  -11.71800   15.19200 
N    core    5.32900  -11.91100   15.82000 
C    core    5.42600  -12.95100   16.72100 
O    core    4.45600  -13.62200   17.06200 
N    core    6.68700  -13.17900   17.20700 
C    core    7.83200  -12.47200   16.89900 
O    core    8.92000  -12.89500   17.29100 
C    core    7.63400  -11.37100   15.99800 
C    core    6.41800  -11.13400   15.50400 
P    core   -0.20500   -9.77500   14.27400 
O    core   -0.02300   -8.30800   14.47500 
O    core   -1.34300  -10.45400   14.88000 
O    core   -0.25900  -10.04700   12.72400 
C    core   -0.62700  -11.31700   12.22900 
C    core   -1.05900  -11.18000   10.79900 
O    core   -2.28900  -10.39800   10.76800 
C    core   -0.10200  -10.38800    9.91500 
O    core    0.99800  -11.18200    9.43600 
C    core   -1.04000   -9.93800    8.80600 
O    core   -1.37400  -11.00900    7.92900 
C    core   -2.28800   -9.56300    9.61200 
N    core   -2.24800   -8.14200   10.02600 
C    core   -2.46500   -7.16200    9.04400 
O    core   -2.77100   -7.52700    7.89200 
N    core   -2.31800   -5.85900    9.36300 
C    core   -1.96900   -5.50800   10.59800 
N    core   -1.77300   -4.21100   10.84700 
C    core   -1.79200   -6.47800   11.63800 
C    core   -1.95000   -7.77400   11.31000 
P    core    2.39400  -10.46900    9.06800 
O    core    3.41700  -11.52200    8.90700 
O    core    2.64900   -9.34100   10.01000 
O    core    2.18500   -9.77200    7.63400 
C    core    1.87700  -10.52800    6.48200 
C    core    1.46100   -9.60600    5.34900 
O    core    0.31400   -8.82400    5.78000 
C    core    2.44100   -8.51900    4.92400 
O    core    3.49400   -9.00200    4.09200 
C    core    1.51200   -7.60400    4.14400 
O    core    1.14300   -8.19200    2.91000 
C    core    0.29400   -7.58000    5.06600 
N    core    0.40400   -6.45000    5.99400 
C    core    0.67600   -6.46300    7.33900 
N    core    0.81400   -5.26200    7.84900 
C    core    0.58900   -4.39800    6.76900 
C    core    0.63100   -2.97100    6.69500 
O    core    0.90800   -2.16000    7.59300 
N    core    0.34200   -2.50700    5.39600 
C    core    0.09000   -3.32900    4.30900 
N    core   -0.12600   -2.72400    3.10600 
N    core    0.05600   -4.66000    4.38300 
C    core    0.31100   -5.11300    5.62700 
P    core    4.90000   -8.22800    4.04200 
O    core    5.78000   -8.97900    3.11300 
O    core    5.38200   -7.92300    5.40200 
O    core    4.54300   -6.82100    3.38200 
C    core    4.05300   -6.73200    2.05800 
C    core    3.95000   -5.28000    1.63900 
O    core    2.96200   -4.59600    2.45400 
C    core    5.19700   -4.43300    1.81500 
O    core    6.09100   -4.62800    0.72100 
C    core    4.60300   -3.03000    1.78600 
O    core    4.18900   -2.61600    0.49900 
C    core    3.32600   -3.23400    2.58300 
N    core    3.53000   -2.91200    3.98600 
C    core    3.62700   -3.76800    5.05200 
N    core    3.77400   -3.14900    6.19600 
C    core    3.78900   -1.79900    5.85300 
C    core    3.89400   -0.65900    6.67300 
O    core    3.96300   -0.62200    7.91200 
N    core    3.88000    0.53200    5.92200 
C    core    3.74800    0.59200    4.54200 
N    core    3.75700    1.82900    3.97600 
N    core    3.62000   -0.48200    3.77200 
C    core    3.65400   -1.63500    4.49500 
P    core    7.66300   -4.74700    0.99200 
O    core    8.25700   -5.18400   -0.31800 
O    core    7.87500   -5.57700    2.23700 
O    core    8.15200   -3.24900    1.24000 
C    core    8.07000   -2.30900    0.17100 
C    core    8.10600   -0.91100    0.69400 
O    core    6.95700   -0.69200    1.54800 
C    core    9.26800   -0.56400    1.58600 
O    core   10.44100   -0.38000    0.80900 
C    core    8.73100    0.68500    2.26800 
O    core    8.70400    1.79400    1.37600 
C    core    7.29100    0.25300    2.55200 
N    core    7.16900   -0.40800    3.85800 
C    core    7.12600    0.40200    4.97300 
O    core    7.17800    1.61000    4.90100 
N    core    7.04600   -0.26300    6.17900 
C    core    7.03900   -1.62900    6.36100 
O    core    6.92000   -2.07900    7.48700 
C    core    7.09900   -2.39700    5.15800 
C    core    7.14100   -1.77100    3.97100 
P    core   11.87900   -0.79600    1.42100 
O    core   12.87300   -0.74400    0.32800 
O    core   11.73600   -2.06100    2.22100 
O    core   12.18900    0.40700    2.40900 
C    core   12.17900    1.74900    1.95100 
C    core   12.17700    2.70700    3.12800 
O    core   10.93800    2.54800    3.85700 
C    core   13.24400    2.48400    4.18700 
O    core   14.48000    3.04500    3.78000 
C    core   12.62800    3.18700    5.39200 
O    core   12.70300    4.60100    5.32800 
C    core   11.16000    2.78100    5.24600 
N    core   10.81000    1.55800    5.97400 
C    core   10.62700    0.28700    5.48300 
N    core   10.30100   -0.59300    6.40000 
C    core   10.26900    0.14900    7.57000 
C    core    9.97900   -0.20000    8.88500 
N    core    9.60400   -1.42900    9.25600 
N    core   10.06400    0.76500    9.82100 
C    core   10.40000    2.01000    9.44100 
N    core   10.67700    2.46600    8.22200 
C    core   10.59000    1.47200    7.32300 
P    core   15.86200    2.50700    4.41100 
O    core   16.97500    3.17000    3.66300 
O    core   15.86500    1.03400    4.55900 
O    core   15.82300    3.06700    5.89900 
C    core   16.02300    4.42900    6.16800 
C    core   15.92800    4.68300    7.65400 
O    core   14.60100    4.35400    8.12200 
C    core   16.83300    3.84100    8.54300 
O    core   18.17700    4.31800    8.55200 
C    core   16.16200    4.02400    9.88300 
C    core   14.68600    3.93100    9.49500 
N    core   14.19500    2.53800    9.58600 
C    core   13.76800    2.03900   10.84500 
O    core   13.79800    2.78800   11.83500 
N    core   13.33900    0.74800   10.93500 
C    core   13.34000   -0.02600    9.84700 
N    core   12.94400   -1.29900    9.96500 
C    core   13.75400    0.46600    8.58200 
C    core   14.16400    1.73500    8.49000 
P    core   19.38200    3.28500    8.79200 
O    core   20.63800    4.07800    8.72100 
O    core   19.23400    2.07900    7.94800 
O    core   19.16000    2.84400   10.30300 
C    core   19.28700    3.79900   11.35600 
C    core   19.02200    3.14600   12.69300 
O    core   17.63400    2.74000   12.77200 
C    core   19.76600    1.86100   13.00900 
O    core   21.14000    2.07100   13.31200 
C    core   18.91700    1.31000   14.14700 
O    core   19.10000    2.05400   15.33200 
C    core   17.50900    1.61300   13.63500 
N    core   16.94200    0.48200   12.87100 
C    core   16.36700   -0.59900   13.57700 
O    core   16.31500   -0.55200   14.81300 
N    core   15.90400   -1.66600   12.88100 
C    core   16.02900   -1.69300   11.54100 
N    core   15.64700   -2.78600   10.90100 
C    core   16.57700   -0.59500   10.80700 
C    core   17.00400    0.46300   11.50500 
Br   core   13.74200   -0.64700    7.07700 
O    core   10.62100   -9.33000   16.75800 
C    core   10.88600   -9.56500   18.15000 
C    core   11.76000   -8.53200   18.82500 
O    core   13.11400   -8.61000   18.31200 
C    core   11.35800   -7.07800   18.66000 
O    core   10.38500   -6.71400   19.62700 
C    core   12.68200   -6.35900   18.89100 
O    core   13.04800   -6.29800   20.25900 
C    core   13.65000   -7.29400   18.17600 
N    core   13.72100   -6.97500   16.75100 
C    core   13.30600   -7.76800   15.70800 
N    core   13.48300   -7.21300   14.53900 
C    core   14.06000   -5.97800   14.82700 
C    core   14.49000   -4.93500   13.95300 
O    core   14.44700   -4.89200   12.73100 
N    core   15.02100   -3.86000   14.66000 
C    core   15.12400   -3.79200   16.03100 
N    core   15.67700   -2.66300   16.51500 
N    core   14.72300   -4.75000   16.85100 
C    core   14.21000   -5.81100   16.18500 
P    core    9.34500   -5.53200   19.30900 
O    core    8.32400   -5.53400   20.37400 
O    core    8.91600   -5.69200   17.88000 
O    core   10.22400   -4.20800   19.35400 
C    core   10.68200   -3.64100   20.56600 
C    core   11.32200   -2.30900   20.27400 
O    core   12.48200   -2.52800   19.41800 
C    core   10.46300   -1.35700   19.44900 
O    core    9.48200   -0.67200   20.21800 
C    core   11.51900   -0.44100   18.85900 
O    core   12.00700    0.46000   19.83400 
C    core   12.59600   -1.45700   18.49200 
N    core   12.36300   -1.95800   17.14600 
C    core   11.81000   -3.15800   16.75400 
N    core   11.68900   -3.26300   15.45500 
C    core   12.19300   -2.05600   14.96900 
C    core   12.31500   -1.57800   13.63100 
O    core   12.02100   -2.15100   12.58400 
N    core   12.85900   -0.30500   13.59100 
C    core   13.26300    0.42000   14.69100 
N    core   13.77100    1.64200   14.45300 
N    core   13.17600   -0.02600   15.94200 
C    core   12.62700   -1.25700   15.99900 
P    core    8.06500   -0.28000   19.53400 
O    core    7.22600    0.31400   20.59300 
O    core    7.54000   -1.42700   18.75600 
O    core    8.49000    0.83100   18.47400 
C    core    9.06800    2.04600   18.91100 
C    core    9.58700    2.84000   17.73600 
O    core   10.44300    2.01000   16.91600 
C    core    8.59600    3.44000   16.74900 
O    core    8.09100    4.64000   17.32300 
C    core    9.49700    3.70200   15.54700 
O    core   10.40700    4.77000   15.76500 
C    core   10.38200    2.45600   15.56900 
N    core    9.91700    1.35500   14.71800 
C    core   10.07300    1.53300   13.35300 
O    core   10.55400    2.53900   12.88300 
N    core    9.66100    0.47400   12.58000 
C    core    9.15700   -0.72900   13.03600 
O    core    8.91100   -1.62000   12.23100 
C    core    9.03200   -0.83200   14.46700 
C    core    9.38600    0.19900   15.23100 
P    core    6.64000    5.19100   16.90900 
O    core    6.53100    6.44200   17.70900 
O    core    5.55500    4.20100   16.98600 
O    core    6.80200    5.54900   15.37100 
C    core    7.54100    6.68300   14.96100 
C    core    7.51900    6.78300   13.46300 
O    core    8.25000    5.67900   12.88200 
C    core    6.15700    6.65700   12.80700 
O    core    5.43000    7.88100   12.92400 
C    core    6.56500    6.37500   11.36900 
O    core    7.06800    7.54300   10.73000 
C    core    7.73100    5.41300   11.58900 
N    core    7.31600    4.01400   11.53100 
C    core    6.94900    3.13900   12.52900 
N    core    6.68700    1.92700   12.09000 
C    core    6.88000    2.02400   10.72100 
C    core    6.77900    1.08100    9.68600 
N    core    6.42700   -0.18500    9.89200 
N    core    7.05900    1.49900    8.42500 
C    core    7.41000    2.78300    8.24100 
N    core    7.52800    3.75800    9.13300 
C    core    7.25200    3.30400   10.36500 
P    core    3.85000    7.84800   13.08600 
O    core    3.36400    9.24100   13.32600 
O    core    3.40700    6.76800   14.00900 
O    core    3.34700    7.41500   11.63800 
C    core    3.50200    8.27600   10.52100 
C    core    3.23200    7.50600    9.25600 
O    core    4.17200    6.40600    9.20800 
C    core    1.87700    6.83100    9.15200 
O    core    0.90300    7.75100    8.65900 
C    core    2.15800    5.72600    8.12700 
O    core    2.23600    6.18400    6.79100 
C    core    3.58700    5.31500    8.50500 
N    core    3.65300    4.08900    9.32100 
C    core    3.70000    2.90100    8.62900 
O    core    3.73700    2.86700    7.41500 
N    core    3.70400    1.76200    9.41100 
C    core    3.65700    1.70900   10.79900 
O    core    3.60800    0.61200   11.37200 
C    core    3.63700    2.99200   11.44400 
C    core    3.64200    4.11000   10.69900 
P    core   -0.35100    8.15700    9.56300 
O    core   -1.26800    9.01200    8.75000 
O    core    0.19300    8.72100   10.86300 
O    core   -1.10200    6.79800    9.94100 
C    core   -1.74500    5.95400    8.97100 
C    core   -3.03600    5.43400    9.55900 
O    core   -2.77300    4.78300   10.81500 
C    core   -4.03800    6.54800    9.86200 
O    core   -5.20900    6.22200    9.10500 
C    core   -4.37900    6.39200   11.34900 
O    core   -5.71400    6.57900   11.76700 
C    core   -3.88800    4.96900   11.62400 
N    core   -3.57800    4.56300   12.99400 
C    core   -4.15900    3.38800   13.45000 
O    core   -4.82900    2.64600   12.74500 
N    core   -3.91000    3.09300   14.76000 
C    core   -3.14700    3.82300   15.64500 
O    core   -3.18700    3.53100   16.85100 
C    core   -2.53300    4.98700   15.08100 
C    core   -2.76500    5.31100   13.80700 
P    core   -5.90200    7.31200    8.17200 
O    core   -6.01200    8.56900    8.96200 
O    core   -7.12100    6.67800    7.62200 
O    core   -4.79100    7.61000    7.08000 
C    core   -4.40200    6.66000    6.06400 
C    core   -3.76800    7.43600    4.93900 
O    core   -4.75700    8.37700    4.49200 
C    core   -2.55800    8.21600    5.44500 
O    core   -1.52300    8.12000    4.48600 
C    core   -3.01400    9.68200    5.46300 
O    core   -1.99600   10.58900    5.12800 
C    core   -4.26600    9.68600    4.58900 
N    core   -5.32100   10.54600    5.14300 
C    core   -5.90600   11.47500    4.29100 
O    core   -5.58700   11.59700    3.10900 
N    core   -6.88000   12.25600    4.87300 
C    core   -7.31400   12.20700    6.19800 
O    core   -8.17200   13.00800    6.59200 
C    core   -6.65800   11.21700    7.00700 
C    core   -5.71100   10.44100    6.46600 
P    core   -0.43700    6.94300    4.50300 
O    core   -0.33300    6.34700    5.88000 
O    core    0.75000    7.45600    3.82000 
O    core   -1.12200    5.81400    3.60100 
C    core   -1.09600    5.89900    2.17700 
C    core   -1.19100    4.51800    1.56900 
O    core    0.07200    3.81900    1.76800 
C    core   -2.21200    3.60000    2.20600 
O    core   -3.52700    3.85400    1.74500 
C    core   -1.69100    2.23300    1.79900 
O    core   -1.94800    1.93400    0.42100 
C    core   -0.18300    2.44300    1.98800 
N    core    0.19900    2.06200    3.37200 
C    core    0.25400    0.69600    3.66500 
O    core    0.06800   -0.12200    2.73900 
N    core    0.50500    0.29700    4.93800 
C    core    0.71200    1.20800    5.89700 
N    core    0.91000    0.76100    7.17000 
C    core    0.71600    2.61200    5.61900 
C    core    0.45800    2.99400    4.34500 
P    core   -4.77700    3.64600    2.72000 
O    core   -5.95400    4.31200    2.09600 
O    core   -4.37800    4.04600    4.11200 
O    core   -5.03300    2.07800    2.73000 
C    core   -5.25400    1.37800    1.51700 
C    core   -5.12000   -0.10500    1.74600 
O    core   -3.76000   -0.39800    2.15500 
C    core   -5.93400   -0.74800    2.86000 
O    core   -7.30100   -0.92200    2.50300 
C    core   -5.20700   -2.07900    2.98200 
O    core   -5.46100   -2.94300    1.89400 
C    core   -3.75400   -1.61300    2.90800 
N    core   -3.28400   -1.38000    4.27200 
C    core   -3.03300   -0.21500    4.94700 
N    core   -2.71100   -0.40700    6.20600 
C    core   -2.72600   -1.78500    6.35200 
C    core   -2.48800   -2.58400    7.47400 
O    core   -2.20100   -2.23300    8.60800 
N    core   -2.62700   -3.93900    7.17500 
C    core   -2.94700   -4.45500    5.94800 
N    core   -2.99200   -5.80300    5.83800 
N    core   -3.19100   -3.71000    4.89500 
C    core   -3.06000   -2.39900    5.16700 
P    core   -8.45300   -0.99200    3.64000 
O    core   -9.74800   -1.02900    2.88700 
O    core   -8.24700    0.06400    4.71000 
O    core   -8.19700   -2.38700    4.34000 
C    core   -8.27300   -3.59300    3.59900 
C    core   -7.97900   -4.76800    4.48900 
O    core   -6.63700   -4.66100    5.01400 
C    core   -8.82600   -4.86900    5.73800 
O    core  -10.09900   -5.39800    5.41800 
C    core   -7.99200   -5.82100    6.58000 
O    core   -8.07400   -7.14500    6.07600 
C    core   -6.58400   -5.28700    6.29900 
N    core   -6.14900   -4.29400    7.27400 
C    core   -5.97600   -2.94300    7.08200 
N    core   -5.55100   -2.31900    8.15500 
C    core   -5.43600   -3.31700    9.10300 
C    core   -5.00600   -3.24500   10.43300 
O    core   -4.59400   -2.26000   11.04600 
N    core   -5.05600   -4.49100   11.05500 
C    core   -5.43800   -5.66100   10.43900 
N    core   -5.39000   -6.78200   11.19900 
N    core   -5.82800   -5.74100    9.18200 
C    core   -5.80400   -4.54300    8.57900 
P    core  -11.38800   -4.88700    6.20700 
O    core  -12.53300   -5.65000    5.64500 
O    core  -11.46500   -3.40700    6.30100 
O    core  -11.18300   -5.45700    7.67700 
C    core  -11.08500   -6.84700    7.89900 
C    core  -10.65100   -7.11200    9.32000 
O    core   -9.29100   -6.63100    9.52200 
C    core  -11.44700   -6.37700   10.38900 
O    core  -12.64300   -7.07500   10.67700 
C    core  -10.48700   -6.45000   11.55900 
O    core  -10.45800   -7.75500   12.11200 
C    core   -9.15700   -6.17200   10.85400 
N    core   -8.81600   -4.74100   10.84000 
C    core   -8.22500   -4.24300   11.98100 
O    core   -8.01300   -4.95000   12.95400 
N    core   -7.90200   -2.89600   11.94600 
C    core   -8.11800   -2.02500   10.89800 
O    core   -7.66800   -0.86500   10.96700 
C    core   -8.76500   -2.61800    9.74700 
C    core   -9.07400   -3.92000    9.75400 
P    core  -13.95800   -6.26500   11.13000 
O    core  -15.02100   -7.27300   11.12800 
O    core  -14.13000   -5.04200   10.31000 
O    core  -13.61000   -5.70600   12.58200 
C    core  -13.51500   -6.56100   13.69900 
C    core  -12.84900   -5.85200   14.85900 
O    core  -11.55200   -5.34800   14.44200 
C    core  -13.51400   -4.61200   15.44500 
O    core  -14.59900   -4.97500   16.29100 
C    core  -12.35100   -4.04000   16.24400 
O    core  -12.07700   -4.83700   17.37000 
C    core  -11.19400   -4.25100   15.26900 
N    core  -10.93200   -3.07000   14.45000 
C    core  -11.23300   -2.80200   13.14200 
N    core  -10.82000   -1.62100   12.73600 
C    core  -10.20100   -1.07700   13.86100 
C    core   -9.53100    0.15600   14.09400 
N    core   -9.34900    1.10600   13.17600 
N    core   -9.04400    0.37400   15.33600 
C    core   -9.20700   -0.56500   16.26100 
N    core   -9.80000   -1.76000   16.16100 
C    core  -10.27700   -1.94900   14.92100 
P    core  -15.73700   -3.90400   16.66900 
O    core  -16.78900   -4.70200   17.34900 
O    core  -16.12000   -2.98500   15.59300 
O    core  -15.07000   -3.02000   17.82000 
C    core  -14.63200   -3.62200   19.04200 
C    core  -13.89400   -2.61100   19.89200 
O    core  -12.69100   -2.20900   19.20700 
C    core  -14.63600   -1.30300   20.13700 
O    core  -15.56000   -1.42700   21.22000 
C    core  -13.50000   -0.35700   20.47400 
C    core  -12.39600   -0.82800   19.51600 
N    core  -12.35900   -0.05300   18.24900 
C    core  -11.69900    1.17900   18.22800 
O    core  -11.18300    1.57600   19.25100 
N    core  -11.64400    1.90200   17.08500 
C    core  -12.21900    1.41800   15.98800 
N    core  -12.11300    2.11900   14.86100 
C    core  -12.91700    0.18100   15.99700 
C    core  -12.96100   -0.51700   17.12100 
P    core  -16.93900   -0.62200   21.17200 
O    core  -17.71000   -1.01700   22.38600 
O    core  -17.58700   -0.71100   19.82700 
O    core  -16.49500    0.90100   21.35000 
C    core  -15.97200    1.37400   22.58800 
C    core  -15.45600    2.78300   22.42300 
O    core  -14.41700    2.79400   21.42200 
C    core  -16.44600    3.80000   21.87800 
O    core  -17.35700    4.26600   22.89300 
C    core  -15.50200    4.89700   21.40300 
O    core  -15.00700    5.60300   22.51300 
C    core  -14.34700    4.08000   20.82100 
N    core  -14.41000    3.94600   19.34900 
C    core  -13.87200    4.98400   18.56400 
O    core  -13.32700    5.97900   19.13400 
N    core  -13.96000    4.90600   17.21700 
C    core  -14.57600    3.86700   16.65200 
N    core  -14.68900    3.86900   15.32500 
C    core  -15.11800    2.78700   17.42100 
C    core  -15.00400    2.86300   18.75900 
Br   core  -13.77300   -0.44300   14.44100 
MG   core    9.87100   -5.70600   11.48100 
N    core   -7.05400    1.06000    9.21500 
C    core   -5.66100    1.69000    9.18900 
C    core   -4.80100    0.78500    9.99400 
C    core   -3.34300    1.20700   10.07600 
N    core   -2.47900   -0.00200   10.14000 
C    core   -1.00300    0.42900   10.21400 
C    core   -0.27600   -0.93800   10.63200 
C    core    1.00600   -0.84300   10.37500 
C    core    1.39800   -2.38000   10.78200 
N    core    2.86200   -2.38700   10.22700 
C    core    3.61500   -3.75900   10.45000 
C    core    5.11200   -3.55600    9.82900 
C    core    5.48700   -4.93000    9.35500 
N    core    6.41000   -4.70800    8.18000 
O    core   -6.88300   -6.71400   14.69400 
O    core    8.26800   -3.22600   16.76100 
O    core    3.63700    4.54400    4.70800 
O    core    2.54700    5.77900    2.56800 
O    core    0.48700    2.90900    9.16100 
O    core  -11.67900   10.81700   19.38800 
O    core  -12.23900    7.30500   10.37100 
O    core    3.33100    3.28400    1.48800 
O    core   12.71100   -8.48500   12.52400 
O    core    7.93400    4.04200    2.21700 
O    core  -10.69700   12.89200   18.03200 
O    core   -0.18400   -3.72000   13.25600 
O    core  -11.68600   -2.75200    1.74700 
O    core   -4.44900   -7.35900   13.89300 
O    core   14.47600    5.02800   12.83800 
O    core  -10.30400    7.32300   21.09000 
O    core  -13.03500    2.11900   12.02800 
O    core    2.33300    0.44200   13.86800 
O    core  -13.26600    7.98100   21.25600 
O    core    1.54500   -2.07100   14.75300 
O    core   -5.69800    4.57300   -0.75500 
O    core   -3.92600  -10.16300   13.84500 
O    core  -16.78800   -0.10200   16.78900 
O    core    3.88200    4.16100   14.64900 
O    core   -7.92400    7.40600   22.56100 
O    core   -8.06900   15.05800   15.64100 
O    core   -9.92800    1.58900    1.47700 
O    core   -8.88300    7.72900   12.59200 
O    core   -6.48200   -4.36100   18.49800 
O    core   -1.32600   -3.65400    0.54000 
O    core   -6.24600    0.30500    6.59400 
O    core  -14.87300   -6.53000    6.74800 
O    core  -16.28000    1.87700   14.04600 
O    core    8.47800   -7.91500   16.55000 
O    core   -9.71000    7.09000   10.27300 
O    core   -6.76800    4.34800   23.47900 
O    core   11.46800    5.12700    7.68000 
O    core   10.43100   -3.18200    6.31600 
O    core  -10.52200    5.11700   12.41000 
O    core   -7.53500    4.70400   11.71000 
O    core   16.29100   -2.99300    8.24200 
O    core    1.67500    3.44300   18.74900 
O    core   -5.51300    7.75900   14.32800 
O    core    6.53500    4.20800    4.88100 
O    core   12.51900   -3.84400    8.48200 
O    core   -8.60200    0.13600   20.13300 
O    core   15.79500   -2.64100   19.32800 
O    core   -7.27800    9.82300   10.81400 
O    core   14.82300   -4.56000   20.96100 
O    core   19.95900    3.90400    4.46200 
O    core   -0.79000    1.75800   13.88700 
O    core   -8.23100   11.77900   21.50700 
O    core   15.16100   -6.58100   10.89100 
O    core    4.72600    2.25300   18.52100 
O    core   15.16400    0.92400   17.88500 
O    core  -10.50700   10.70400   21.76600 
O    core   10.52900    6.48300   17.99900 
O    core    2.97400   -0.27500    0.70000 
O    core  -17.16400   -7.84100    9.66000 
O    core    2.50900    1.81300   16.84000 
O    core   -9.73700   -0.98300    6.93100 
O    core   -8.83400    3.76700    2.89700 
O    core    4.90400    6.97800    1.64300 
O    core    8.18600   -4.12500   12.35400 
O    core    8.26600   -6.38900   10.72600 
O    core   11.44700   -6.93600   10.98900 
O    core   11.27700   -4.55500   12.17300 
O    core    9.96700   -6.92600   13.29900