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path: root/sim/src/tests/heteroatom_organics/test_C5H10BH.xyzcmp
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C5H10BH.mmp
B -0.740000 1.307000 0.349000
C -0.280000 0.367000 1.518000
C -0.628000 0.834000 -1.144000
C -0.424000 -0.682000 -1.348000
C -0.117000 -1.120000 1.145000
C 0.472000 -1.302000 -0.262000
H -1.075000 2.435000 0.592000
H -0.887000 0.499000 2.424000
H 0.705000 0.787000 1.804000
H -1.450000 1.223000 -1.760000
H 0.258000 1.385000 -1.518000
H -0.007000 -0.892000 -2.340000
H -1.401000 -1.186000 -1.318000
H 0.506000 -1.640000 1.885000
H -1.098000 -1.616000 1.181000
H 0.627000 -2.368000 -0.469000
H 1.467000 -0.831000 -0.303000