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README, brw.dat, brw.for, brw.out, c2h5clgeom.dat, c2h5cltsgeom.dat, c2h6geom.dat, c2h6tsgeom.dat, c4h2geom.dat, c4h2rrkm.dat, c5h12geom.dat, c5h12tsgeom.dat, cf3geom.dat, cf4geom.dat, cf4tsgeom.dat, ch3geom.dat, ch3hcnrrkm.dat, ch3ohgeom.dat, ch4geom.dat, ch4tsgeom.dat, doc, geom.dat, geom.for, geom.out, h2ogeo.dat, mas55.for, mas77.for, readme, rrkm.for, smpl1mas.dat, smpl1mas.out, smpl1out.out, smpl1rrkm.dat, smpl2mas.dat, smpl2mas.out, smpl2out.out, smpl2rrkm.dat, smpl3mas.dat, smpl3mas.out, smpl3out.out, smpl3rrkm.dat, smpl4mas.dat, smpl4mas.out, smpl4out.out, smpl4rrkm.dat, smpl5mas.dat, smpl5mas.out, smpl5out.out, smpl5rrkm.dat 

 BUTOXY
14
1,0,0,180,0,1.008
2,1,180,0,1.09,12
3,2,109.47,60,1.09,1.008
4,2,109.47,-60,1.09,1.008
5,2,109.47,180,1.54,12
6,5,109.47,60,1.09,1.008
7,5,109.47,-60,1.09,1.008
8,5,109.47,180,1.54,12
9,8,109.47,60,1.09,1.008
10,8,109.47,-60,1.09,1.008
11,8,109.47,180,4.39,12
12,11,120,60,1.09,1.008
13,11,120,-60,1.09,1.008
14,11,120,180,1.23,16
1
10,8
1,2,3,4,5,6,7,8,9,10
11

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